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N-叔丁氧羰基-L-1,2,3,4-四氢-beta-咔啉-3-羧酸 | 66863-43-2

N-叔丁氧羰基-L-1,2,3,4-四氢-beta-咔啉-3-羧酸结构式图片|66863-43-2结构式图片
N-叔丁氧羰基-L-1,2,3,4-四氢-beta-咔啉-3-羧酸
(3S)-1-(tert-Butoxycarbonyl)-2,3,4,9-tetrahydro-1h-pyrido3,4-bindole-3-carboxylic Acid
66863-43-2
C17H19N2O4-
315.34376
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:N-叔丁氧羰基-L-1,2,3,4-四氢-beta-咔啉-3-羧酸结构式
1268155
名称和标识符
MDL MFCD00800580
InChIKey FHEPEWKHTOVVAT-AWEZNQCLSA-N
Inchi InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13-11(8-14(19)15(20)21)10-6-4-5-7-12(10)18-13/h4-7,14,18H,8-9H2,1-3H3,(H,20,21)/t14-/m0/s1
SMILES CC(C)(C)OC(=O)N1CC2=C(C[C@H]1C(=O)O)C3=CC=CC=C3N2
别名信息
- 中文别名 -
  • N-叔丁氧羰基-L-1,2,3,4-四氢-beta-咔啉-3-羧酸
  • (S)-2-叔丁氧羰基)-2,3,4,9-四氢-1H-吡啶并[3,4-b]吲哚-3-甲酸
  • BOC-L-1,2,3,4-TETRAHYDRONORHARMAN-3-甲酸
  • Boc-L-1,2,3,4-四氢-Β-咔啉-3-羧酸
  • N-叔丁氧羰基-L-1,2,3,4-四氢-beta-咔啉-3-羧酸|Boc-L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
  • BOC-L-1,2,3,4-四氢-Β-咔啉-3-羧酸
  • (S)-2-(叔丁氧羰基)-2,3,4,9-四氢-1H-吡啶并[3,4-b]吲哚-3-羧酸
- 英文别名 -
  • N-Boc-L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid
  • (S)-2-(tert-Butoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
  • (S)-2-Boc-1,2,3,4-tetrahydronorharmane-3-carboxylic acid
  • Boc-L-1,2,3,4-tetrahydro-norharman-3-carboxylic acid
  • Boc-L-1,2,3,4-tetrahydronorharman-3-carboxylic acid
  • Boc-L-1,2,3,4-tetrahydronorharman-3-carboxylic acid
  • Boc-L-1,2,3,4-Tetrahydro-β-carbolin-3-carboxylic acid
  • Boc-L-Tpi-OH
  • Boc-Tpi-OH
  • N-α-Boc-L-1,2,3,4-tetrahydronorharmane-3-carboxylic acid
  • Boc-L-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3
  • Boc-L-1,2,3,4-Tetrahydro-b-Carbolin-3-CarboxylicAcid
  • BOC-L-TPI
  • BOC-L-TRYPTOLINE-3-CARBOXYLIC ACID
  • BOC-THNH(3)-OH
  • RARECHEM BK PT 0089
  • Boc-L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
  • MFCD00800580
  • EN300-1071066
  • AC-5891
  • CS-W012030
  • Boc-L-1,2,3,4-tetrahydronorharman-3-carboxylic acid, AldrichCPR
  • 66863-43-2
  • SCHEMBL5880416
  • (3S)-2-[(tert-butoxy)carbonyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
  • CHEMBL2032051
  • (S)-2-(tert-butoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylicacid
  • AKOS015948717
  • (3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
  • PS-12017
  • A50152
  • Boc-Tpi-OH
  • Boc-L-1,2,3,4-Tetrahydro--carboline-3-carboxylic acid
  • Boc-L-tryptoline-3-carboxylic acid
  • Boc-L-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylic acid
  • N-alpha-tert-Butyloxycarbonyl-1,2,3,4-tetrahydronorharman-L-3-carboxylic acid
  • (S)-2-(tert-butoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
  • N-
  • FHEPEWKHTOVVAT-AWEZNQCLSA-N
  • A-Boc-L-1,2,3,4-tetrahydronorharmane-3-carboxylic acid
物化性质
实验特性
LogP 2.85220
PSA 82.63000
沸点 525.6°C at 760 mmHg
熔点 275-282°C
闪点 271.7°C
颜色与性状 无可用
溶解性 无可用
比旋光度 +85° (c=1, EtOH)
计算特性
精确分子量 316.14200
氢键供体数量 2
氢键受体数量 6
可旋转化学键数量 4
同位素质量 316.142
重原子数量 23
复杂度 482
同位素原子数量 0
确定原子立构中心数量 1
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.1
表面电荷 -1
拓扑分子极性表面积 85.5
海关数据
海关编码 29339900
专业数据库参考
PubChemId 1268155
参考资料
Beilstein 691288
N-叔丁氧羰基-L-1,2,3,4-四氢-beta-咔啉-3-羧酸 MSDS
基础信息

SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Boc-L-1,2,3,4-Tetrahydronorharman-3-Carboxylic    
    Acid
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
    Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
    This substance is not classified as dangerous according to Directive 67/548/EEC.
  Label elements
    The product does not need to be labelled in accordance with EC directives or respective national laws.
  Other hazards
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
  Substances
    Molecular weight        : 316,36 g/mol    
    No components need to be disclosed according to the applicable regulations.

SECTION 4: First aid measures
  Description of first aid measures
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration.
  In case of skin contact
    Wash off with soap and plenty of water.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    No data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Nature of decomposition products not known.
  Advice for firefighters
    Wear self-contained breathing apparatus for firefighting if necessary.
  Further information
    No data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Avoid dust formation. Avoid breathing vapours, mist or gas.
    For personal protection see section 8.
  Environmental precautions
    No special environmental precautions required.
  Methods and materials for containment and cleaning up
    Sweep up and shovel. Keep in suitable, closed containers for disposal.
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    Provide appropriate exhaust ventilation at places where dust is formed.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
    Storage class (TRGS 510): Non Combustible Solids
  Specific end use(s)
    Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    General industrial hygiene practice.
  Personal protective equipment
  Eye/face protection
    Use equipment for eye protection tested and approved under appropriate government standards
    such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Choose body protection in relation to its type, to the concentration and amount of dangerous
    substances, and to the specific work-place., The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
    use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    No special environmental precautions required.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    b) Odour        No data available    
    c) Odour Threshold        No data available    
    d) pH        No data available    
    e) Melting point/freezing        No data available    
    point
    f) Initial boiling point and No data available
    boiling range
    g) Flash point        No data available    
    h) Evaporation rate        No data available    
    i) Flammability (solid, gas) No data available
    j) Upper/lower        No data available    
    flammability or
    explosive limits
    k) Vapour pressure        No data available    
    l) Vapour density        No data available    
    m) Relative density        No data available    
    n) Water solubility        No data available    
    o) Partition coefficient: n- No data available
    octanol/water
    p) Auto-ignition        No data available    
    temperature
    q) Decomposition        No data available    
    temperature
    r) Viscosity        No data available    
    s) Explosive properties        No data available    
    t) Oxidizing properties        No data available    
  Other safety information
    No data available

SECTION 10: Stability and reactivity
  Reactivity
    No data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    No data available
  Conditions to avoid
    No data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    No data available
  Skin corrosion/irritation
    No data available
  Serious eye damage/eye irritation
    No data available
  Respiratory or skin sensitisation
    No data available
  Germ cell mutagenicity
    No data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    No data available
  Specific target organ toxicity - single exposure
    No data available
  Specific target organ toxicity - repeated exposure
    No data available
  Aspiration hazard
    No data available
  Additional Information
    RTECS: Not available
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

SECTION 12: Ecological information
  Toxicity
    No data available
  Persistence and degradability
    No data available
  Bioaccumulative potential
    No data available
  Mobility in soil
    No data available
  Results of PBT and vPvB assessment
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
  Other adverse effects
    No data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    No data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    No data available
  Chemical Safety Assessment
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Further information
    Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.
化合物详情(旧版)

SMILES

O=C([O-])[C@H]1N(C(=O)OC(C)(C)C)CC2=C(C1)C3C(=CC=CC=3)N2

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