872091-85-5

• 常用中文名：3-(2-氰基丙烷-2-基)苯甲酸甲酯
• 常用英文名：methyl 3-(2-cyanopropan-2-yl)benzoate
• CAS号：872091-85-5
• 分子式：C₁₂H₁₃NO₂
• 分子量：203.23700
• 发布时间：2018-12-28 05:20:13
• 更新时间：2024-01-17 14:54:13

名称

• 中文名: 3-(2-氰基丙烷-2-基)苯甲酸甲酯
• 英文名: methyl 3-(2-cyanopropan-2-yl)benzoate
• 英文别名: methyl 3-(1-cyano-1-methylethyl)benzoate; 3-(1-cyano-1-methylethyl)benzoic acid methyl ester

物化性质

• 分子式: C₁₂H₁₃NO₂
• 分子量: 203.23700
• 精确质量: 203.09500
• PSA: 50.09000
• LogP: 2.27438
• 储存条件: 室温，干燥，密封

安全

• 危害码 (欧洲): Xi
• 海关编码: 2926909090

合成路线

68432-92-8 74-88-4 ~77% 872091-85-5

文献：Okaniwa, Masanori; Hirose, Masaaki; Imada, Takashi; Ohashi, Tomohiro; Hayashi, Youko; Miyazaki, Tohru; Arita, Takeo; Yabuki, Masato; Kakoi, Kazuyo; Kato, Juran; Takagi, Terufumi; Kawamoto, Tomohiro; Yao, Shuhei; Sumita, Akihiko; Tsutsumi, Shunichirou; Tottori, Tsuneaki; Oki, Hideyuki; Sang, Bi-Ching; Yano, Jason; Aertgeerts, Kathleen; Yoshida, Sei; Ishikawa, Tomoyasu Journal of Medicinal Chemistry, 2012 , vol. 55, # 7 p. 3452 - 3478

74-88-4 ~67% 872091-85-5

文献：ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2007/113557 A1, 2007 ; Location in patent: Page/Page column 27 ; WO 2007/113557 A1

146257-39-8 74-88-4 ~% 872091-85-5

文献：Galemmo, JR., Robert; Holland, Richard; Hum, Gabriel; Pajouhesh, Hossein; Chahal, Navjot; Seid-Bagherzadeh, Mehran; Girard, Amy Patent: US2009/270394 A1, 2009 ; Location in patent: Page/Page column 12 ; US 20090270394 A1

68432-92-8 ~67% 872091-85-5

文献：ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2006/40568 A1, 2006 ; Location in patent: Page/Page column 65-66 ; WO 2006/040568 A1

上下游产品

上游产品  3
68432-92-8 74-88-4 146257-39-8
下游产品  1
872091-00-4

海关

海关编码	2926909090
中文概述	2926909090 其他腈基化合物. 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
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%