14731-78-3

• 常用中文名：2-Propenoic acid,3-(1,3-benzodioxol-5-yl)-, ethyl ester
• 常用英文名：2-Propenoic acid,3-(1,3-benzodioxol-5-yl)-, ethyl ester
• CAS号：14731-78-3
• 分子式：C₁₂H₁₂O₄
• 分子量：220.22100
• 发布时间：2016-01-07 15:45:06
• 更新时间：2024-01-09 13:20:00

名称

• 英文名: ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
• 英文别名: ethyl 3,4-ethylenedioxybenzoylformate; 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetic acid ethyl ester; Ethyl-3-(3',4'-methylendioxy-phenyl)-2-propenoat; 2,3-dihydrobenzo[1,4]dioxin-6-ylhydroxyacetic acid ethyl ester; ethyl 2,3-dihydro-1,4-benzodioxin-6-yl(oxo)acetate; 3-Benzo[1,3]dioxol-5-yl-acrylsaeure-aethylester; 3,4-Methylendioxy-zimtsaeure-aethylester; 3-<3,4-Methylendioxy-phenyl>-acrylsaeureaethylester; ethyl 3,4-ethylenedioxyphenylglyoxylate; ethyl 3-(3,4-dioxymethylenephenyl)propenoate; ethyl 3,4-methylenedioxycinnamate; 3-benzo[1,3]dioxol-5-yl-acrylic acid ethyl ester

物化性质

• 密度: 1.236g/cm3
• 沸点: 337.2ºC at 760mmHg
• 分子式: C₁₂H₁₂O₄
• 分子量: 220.22100
• 闪点: 149.2ºC
• 精确质量: 220.07400
• PSA: 44.76000
• LogP: 1.99160
• 蒸汽压: 0.000106mmHg at 25°C
• 折射率: 1.58

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UD3020000 CHEMICAL NAME : 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, ethyl ester CAS REGISTRY NUMBER : 14731-78-3 LAST UPDATED : 199307 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C12-H12-O4 MOLECULAR WEIGHT : 220.24 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 948 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 43,551,1988

合成路线

120-57-0 1530-45-6 ~68% 14731-78-3

文献：ELIXIR PHARMACEUTICALS, INC.; SAUNDERS, Jeffrey, O.; SARMA, Bugga, V.N.B.S.; RAO, K.V., Nageshwar Patent: WO2010/104929 A1, 2010 ; Location in patent: Page/Page column 55-56 ;

120-57-0 688-49-3 ~55% 14731-78-3

文献：Kalypsys, Inc. Patent: US2006/116515 A1, 2006 ; Location in patent: Page/Page column 58 ; US 20060116515 A1

120-57-0 105-36-2 ~69% 14731-78-3

文献：Suzuki, Hitomi; Inouye, Masahiko Chemistry Letters, 1986 , p. 403 - 406

64-17-5 2373-80-0 ~% 14731-78-3

文献：Feuerstein; Heimann Chemische Berichte, 1901 , vol. 34, p. 1470

4043-71-4 ~% 14731-78-3

文献：Sharma, Abhishek; Sharma, Naina; Shard, Amit; Kumar, Rakesh; Mohanakrishnan, Dinesh; Saima; Sinha, Arun K.; Sahal, Dinkar Organic and Biomolecular Chemistry, 2011 , vol. 9, # 14 p. 5211 - 5219

120-57-0 1099-45-2 ~% 14731-78-3

文献：Li, Xiao-Dong; Kang, Shuai-Tao; Li, Guo-Yu; Li, Xian; Wang, Jin-Hui Molecules, 2011 , vol. 16, # 5 p. 3580 - 3596

120-57-0 141-78-6 ~% 14731-78-3

文献：Hoering Chemische Berichte, 1907 , vol. 40, p. 2176 Full Text Show Details Baude; Reychler Bulletin de la Societe Chimique de France, 1897 , vol. <3> 17, p. 616 Full Text Show Details Reychler Bulletin de la Societe Chimique de France, 1897 , vol. <3> 17, p. 515

67-64-1 35283-03-5 ~% 14731-78-3

文献：Hoering Chemische Berichte, 1907 , vol. 40, p. 2176

上下游产品

上游产品  10
120-57-0 1530-45-6 688-49-3 105-36-2
64-17-5 2373-80-0 4043-71-4 1099-45-2
141-78-6 67-64-1
下游产品  4
7031-03-0 7031-05-2 7116-48-5 88368-70-1