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1-苄基-2,5-吡咯烷二羧酸二乙酯 | 17740-40-8

1-苄基-2,5-吡咯烷二羧酸二乙酯结构式图片|17740-40-8结构式图片
1-苄基-2,5-吡咯烷二羧酸二乙酯
Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
17740-40-8
C17H23NO4
305.36882
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-苄基-2,5-吡咯烷二羧酸二乙酯结构式
1-苄基-2,5-吡咯烷二羧酸二乙酯MOL
286120
名称和标识符
MDL MFCD00830964
InChIKey LDUSEIANLSWKPY-UHFFFAOYSA-N
Inchi InChI=1S/C17H23NO4/c1-3-21-16(19)14-10-11-15(17(20)22-4-2)18(14)12-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3
SMILES CCOC(=O)C1CCC(C(=O)OCC)N1CC2=CC=CC=C2
别名信息
- 中文别名 -
  • 1-苄基-2,5-吡咯烷二羧酸二乙酯
  • 1-苄基-2,5-吡咯烷羧酸二乙酯
  • N-苄基-2,5-吡咯二羧酸二乙酯
  • 1-苄基吡咯烷-2,5-二羧酸二乙酯
  • 二乙基 1-苄基吡咯烷-2,5-二甲酸酯
- 英文别名 -
  • Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
  • 1-benzyl-2,5-dicarbethoxypyrrolidine
  • 1-Benzyl-pyrrolidin-2,5-dicarbonsaeure-diaethylester
  • 1-benzyl-pyrrolidine-2,5-dicarboxylic acid diethyl ester
  • 2,5-diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
  • diethyl 1-benzyl-2,5-pyrrolidinedicarboxylate
  • Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate,Mixture of cis and trans isoMers
  • diethyl meso-1-benzyl-2,5-pyrrolidinedicarboxylate
  • N-benzyl-2,5-dicarbethoxypyrrolidine
  • 2,5-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl)-, 2,5-diethyl ester
  • 1-Benzyl-2,5-bis(ethoxycarbonyl)pyrrolidine, {[2,5-Bis(ethoxycarbonyl)pyrrolidin-1-yl]methyl}benzene
  • 1-Benzyl-2,5-bis(ethoxycarbonyl)pyrrolidine, {[2,5-Bis(ethoxycarbonyl)pyrrolidin-2-yl]methyl}benzene
  • Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate, 95%, Mixture of cis and trans isoMers
  • Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate , Mixture of cis and trans isomers, 97%
  • diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
  • BP-10344
  • W-206245
  • A812253
  • AKOS015904652
  • 1-(phenylmethyl)pyrrolidine-2,5-dicarboxylic acid diethyl ester
  • NSC-143948
  • MFCD00830964
  • SY259571
  • DTXSID10966704
  • SY356379
  • MFCD00276602
  • 1-BENZYL-2,5-BIS(ETHOXYCARBONYL)PYRROLIDINE
  • Diethyl cis-1-benzylpyrrolidine-2,5-dicarboxylate
  • SCHEMBL3718243
  • BCP31975
  • 2,5-PYRROLIDINEDICARBOXYLIC ACID, 1-(PHENYLMETHYL)-, 2,5-DIETHYL ESTER
  • diethyl 1-benzylpyrrolidine-2,5-dicarboxylate HCl
  • CS-0312783
  • AB07365
  • 1-BENZYL-PYRROLIDINE-2,5-DICARBOXYLIC ACID DIETHYL ESTER
  • SB37493
  • diethyl 1-(phenylmethyl)pyrrolidine-2,5-dicarboxylate
  • FT-0624814
  • NSC143948
  • LDUSEIANLSWKPY-UHFFFAOYSA-N
  • AC-28240
  • PS-7103
  • AM85633
  • 17740-40-8
  • DIETHYL 1-BENZYLPYRROLIDINE-2,5-DICARBOXYLATE
  • 2,5-DIETHYL (2R,5S)-1-BENZYLPYRROLIDINE-2,5-DICARBOXYLATE
  • 52321-06-9
物化性质
实验特性
LogP 2.08370
PSA 55.84000
折射率 1.53
沸点 381.3°Cat760mmHg
闪点 184.4°C
密度 1.146
计算特性
精确分子量 305.16300
氢键供体数量 0
氢键受体数量 5
可旋转化学键数量 8
同位素质量 305.163
重原子数量 22
复杂度 353
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 2
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) 2.9
拓扑分子极性表面积 55.8A^2
海关数据
海关编码 2933990090
海关数据

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

专业数据库参考
PubChemId 286120
1-苄基-2,5-吡咯烷二羧酸二乙酯 MSDS
基础信息
Name: Diethyl 1-benzylpyrrolidine-2 5- dicarboxylate 97% Material Safety Data Sheet
Synonym:
CAS: 17740-40-8
Section 1 - Chemical Product ? MSDS Name:Diethyl 1-benzylpyrrolidine-2 5- dicarboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17740-40-8 Diethyl 1-benzylpyrrolidine-2,5-dicarb 97% unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
? Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 17740-40-8: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 134 - 136 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C17H23NO4
Molecular Weight: 305

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 17740-40-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 17740-40-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17740-40-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17740-40-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
化合物详情(旧版)

SMILES

CCOC(=O)C1N(CC2=CC=CC=C2)C(C(=O)OCC)CC1

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