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3,4,5-三甲氧基肉桂酸 | 90-50-6

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中文名称:3,4,5-三甲氧基肉桂酸
英文名称:3,4,5-Trimethoxycinnamic acid
CAS No.:90-50-6 分子式:C12H14O5 分子量:238.236564159393
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:3,4,5-三甲氧基肉桂酸结构式
MSDS:3,4,5-三甲氧基肉桂酸msds 价格行情:3,4,5-三甲氧基肉桂酸价格 PubChem CID:735755
国内供应商
3,4,5-三甲氧基肉桂酸的其他展现形式
  • 相关化合物
反式-3,4,5-三甲氧基肉桂酸 trans-3-(3,4,5-trimethoxyphenyl)acrylic acid CAS No.:20329-98-0
肉桂酸钠 Sodium cinnamate CAS No.:538-42-1
反-4-羟基-3-甲氧基肉桂酸 trans-4-Hydroxy-3-methoxycinnamic acid CAS No.:537-98-4
阿魏酸 Ferulic acid CAS No.:1135-24-6
3-甲氧基肉桂酸 3-(3-Methoxyphenyl)acrylic acid CAS No.:6099-04-3
3,4-二甲氧基肉桂酸 3-(3,4-Dimethoxyphenyl)acrylic acid CAS No.:2316-26-9
简介
3,4,5-Trimethoxycinnamic acid 是从远志中分到的苯丙素类化合物,具有抗应激作用,能够延长动物的睡眠时间。3,4,5-Trimethoxycinnamic acid 能够增强 GAD65 和 GABAA 受体 γ 亚基,但对 α和 β 亚基没有作用。
名称和标识符
MDL MFCD00004388
InChIKey YTFVRYKNXDADBI-UHFFFAOYSA-N
Inchi 1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)
SMILES O=C(C=CC1C=C(OC)C(OC)=C(OC)C=1)O
BRN 153783
别名信息
- 中文别名 -
3,4,5-三甲氧基肉桂酸 3,4,5-三甲氧基苯丙烯酸 3,4,5三甲氧基肉桂酸 3,4,5-三甲氧基肉桂 3,4,5-三甲氧基肉桂酸,主体成分为反式 3,4,5-三甲氧基肉桂酰氯 3.4.5-三甲氧基肉桂酰氯 3-(3,4,5-三甲氧基)苯基-2-丙烯 3-(3,4,5-三甲氧基苯基)丙烯酸 三甲基硅烷基乙炔锂 3,4,5-三甲氧基苯乙烯酸(3,4,5-三甲氧基肉桂酸) 三甲氧基肉桂酸
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- 英文别名 -
3,4,5-Trimethoxycinnamic acid 3,4,5-Trimethoxycinnamic (2E)-3-(3,4,5-Trimethoxyphenyl)acrylic acid 3-(3,4,5-trimethoxyphenyl)-2-Propenoic acid (TriMethylsilyl)ethynyllithiuM 3,4,5-trimethoxy-cinnamicaci 3,4,5-Trimethoxyzimtsure 5-TriMethoxycinnaMic acid o-methylsinapicacid RARECHEM BK HC T328 TRIMETHOXYCINNAMICACID Cinnamic acid, 3,4,5-trimethoxy- (6CI,7CI,8CI) 3,4,5-Trimethoxyphenylacrylic acid 3-(3,4,5-Trimethoxyphenyl)propenoic acid NSC66175 3-(3,4,5-Trimethoxyphenyl)-2-propenoicacid O-Methylsinapic acid Trimethoxycinnamic acid 3-(3,4,5-trimethoxyphenyl)acrylic acid SINAPIC ACID METHYL ETHER 3,4,5-Trimethoxy cinnamic acid 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)- (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, (2E)- Cinnamic acid, 3,4,5-trimethoxy- 3,4,5-Trimethoxy-trans-cinnamic acid SR-01000773278-2 3,4,5-Trimethoxyphenylacrylate 3, 4, 5-Trimethoxycinnamic Acid 3,4,5-trimethoxykanelsyre EN300-16919 Cinnamic acid,4,5-trimethoxy- AC-16693 HMS2232E22 HY-W012123 NCGC00095563-02 T1104 W-100329 F3284-8534 Spectrum5_000448 BRN 1537834 NSC-66175 MLS002207275 3,4,5-Trimethoxycinnamic acid (TMCA) AC-24565 3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid 90-50-6 3,4,5-Trimethoxycinnamic acid, 97% 3-(3,5-Trimethoxyphenyl)-2-propenoic acid AS-871/13102032 3,4,5-Trimethoxycinnamic acid, analytical reference material 646E4CC1-F441-40D8-B1BB-87A43D1B3600 C9096D920O (e)-3,4,5-trimethoxycinnamic acid MLS000757621 AS-11999 CHEBI:566519 Cinnamic acid, 3,4,5-trimethoxy-, (E)- 3,4,5-Trimethoxy cinnamate 3,5-Trimethoxycinnamic acid BS-4465 2-Propenoic acid,4,5-trimethoxyphenyl)- (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid 20329-98-0 AC-34784 SDCCGMLS-0066950.P001 bmse010224 BBL011951 3-(3,4,5-Trimethoxyphenyl)-2-propenoic acid UNII-C9096D920O LS-54183 STK500969 BDBM232204 Q30061098 CS-W012839 3,4,5-Trimethoxycinnamic acid, predominantly trans HMS3886I07 2-10-00-00354 (Beilstein Handbook Reference) 3,4,5-Trimethoxybenzeneacrylic acid AKOS000120453 s4961 (E)-3-(3,4,5-trimethoxyphenyl) acrylic acid DTXSID701298647 MFCD00004388 SPECTRUM290032 EN300-832999 SMR000371917 (2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoic acid (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid CCG-39479 trans-3,4,5-Trimethoxycinnamic acid (E)-3-(3,4,5-trimethoxyphenyl)acrylicacid 3,4,5-TRIMETHOXYCINNAMIC ACID NSC 66175 BSPBio_002796 EINECS 201-999-8 O-Methylsinapate SR-01000773278 BRD-K63758740-001-02-3 Z2315575393 CHEMBL501235 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, (E)- NCGC00095563-01 SCHEMBL207441 (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid 3,4,5-Trimethoxycinnamic acid, pred. trans 3-(3,4,5-Trimethoxyphenyl)-2-propenoic acid (ACI) Cinnamic acid, 3,4,5-trimethoxy- (6CI, 7CI, 8CI) 3-(3,4,5-Trimethoxyphenyl)acrylic acid
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物化性质
 实验特性
LogP 1.81020
PSA 64.99000
折射率 1.4571 (estimate)
沸点 396.4℃ at 760 mmHg
熔点 125-127 °C (lit.)
闪点 151.5℃
溶解度 3040 mg/L @ 25 °C (est)
颜色与性状 White cryst.
溶解性 溶于热水和氯仿。
密度 1.1416 (rough estimate)
 计算特性
精确分子量 238.08400
氢键供体数量 1
氢键受体数量 5
可旋转化学键数量 5
同位素质量 238.084124
重原子数量 17
复杂度 262
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 0
确定化学键立构中心数量 1
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) 1.4
表面电荷 0
拓扑分子极性表面积 65
分子量 238.24
国际标准相关数据
EINECS 66175
海关数据
海关编码 2916399090
海关数据

中国海关编码:

2916399090

概述:

2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装

Summary:

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

合成路线

合成路线:1 步

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参考文献 :
Synthesis and pharmacological activities of 4-aryl-3,4-dihydrocoumarin derivatives
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合成路线:1 步

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参考文献 :
Preparation of 3,4,5-trimethoxycinnamic acid
Zhang, Guanggui; et al, Zhongguo Yiyao Gongye Zazhi, 2007, 38(11), 761-762

合成路线:3 步

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Lebedev, A. V.; et al, Russian Journal of General Chemistry, 2005, 75(7), 1113-1124

合成路线:1 步

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参考文献 :
Excavating precursors from the traditional Chinese herb Polygala tenuifolia and Gastrodia elata: synthesis, anticonvulsant activity evaluation of 3,4,5-trimethoxycinnamic acid (TMCA) ester derivatives
Zhao, Zefeng; et al, Bioorganic Chemistry, 2019, 88,

合成路线:1 步

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参考文献 :
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Adinarayana, D.; et al, Acta Ciencia Indica, 1988, 14(2), 143-6

合成路线:2 步

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参考文献 :
Preparation of 3,4,5-trimethoxycinnamic acid
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合成路线:1 步

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合成路线:2 步

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参考文献 :
Excavating precursors from the traditional Chinese herb Polygala tenuifolia and Gastrodia elata: synthesis, anticonvulsant activity evaluation of 3,4,5-trimethoxycinnamic acid (TMCA) ester derivatives
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合成路线:1 步

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参考文献 :
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合成路线:2 步

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参考文献 :
Synthesis of biphenyl compounds
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合成路线:1 步

反应条件: 查看详情

参考文献 :
Aqueous Extract of Acacia concinna Pods: An Efficient Surfactant Type Catalyst for Synthesis of 3-Carboxycoumarins and Cinnamic Acids via Knoevenagel Condensation
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合成路线:3 步

反应条件: 查看详情

参考文献 :
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合成路线:4 步

反应条件: 查看详情

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专业数据库参考
PubChemId 735755
参考资料
Beilstein 10,509
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