171489-59-1

• 常用中文名：(1R,3R)-1-(1,3-苯并二氧戊环-5-基)-2-(氯乙酰基)-2,3,4,9-四氢-1H-吡啶并[3,4-b]吲哚-3-羧酸甲酯
• 常用英文名：Chloropretadalafil
• CAS号：171489-59-1
• 分子式：C₂₂H₁₉ClN₂O₅
• 分子量：426.850
• 发布时间：2019-01-09 09:00:43
• 更新时间：2024-01-02 01:15:41

名称

• 中文名: 顺式-(1R,3R)-1,2,3,4-四氢-1-(3,4-亚甲二氧基苯基)-9H-吡啶并[3,4-B]吲哚-3-羧酸甲酯盐酸盐
• 英文名: (1r,3r)-methyl-1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4-methylenedioxyphenyl)-9h-pyrido[3,4-b]indole-3-carboxylate
• 中文别名: 1,2,3,4-四氢-2-氯乙酰基-1-(3,4-亚甲基二氧基苯基)-9H-吡啶并[3,4-B]吲哚-3-羧酸-(6R,12aR)-甲酯; 他达那非中间体; 甲基氯化物; (1R,3R)-1-(1,3-苯并二氧戊环-5-基)-2-(氯乙酰基)-2,3,4,9-四氢-1H-吡啶并[3,4-B]吲哚-3-羧酸甲酯
• 英文别名: Methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylate; (1R,3R)-1-(1,3-BENZODIOXOL-5-YL)-2-(CHLOROACETYL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B] INDOLE-3-CARBOXYLIC ACID METHYL ESTER; (1R,3R)-Methyl-1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4-Methylenedioxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate (Chloropretadalafil); (6R,12aR)-methyl1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4-methylenedioxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate; 1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-, methyl ester, (1R,3R)-; (1R,3R)-1-(3,4-methylenedioxyphenyl)-2-chloroacetyl-2,3,4,9-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester; (6R.12aR)-Methyl-1,2,3,4-tetrahydro-2-chloroacetyl1-1(3,4-Methylenedioxyphenyl)9H-pyrido-[3,4-b]-indole-3-Carbxylate; (1R,3R)-Methyl 1-(benzo[d][1,3]dioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate; (1R,3R)-1-benzo[1,3]dioxol-5-yl-2-(2-chloroethanoyl)-2,3,4,9-tetrahydro-1H--carboline-3-carboxylic acid methyl ester; (1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylicacidmethyeste; (1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester; (1R,3R)-1-(3,4-methylenedioxyphenyl)-2-chloroacetyl-1,2,3,4-tetrahydro-pyrido[3,4-b]indole-3-carboxylic acid methyl ester; (6R,12AR)-METHYL 1,2,3,4-TETRAHYDRO-2-CHLOROACETYL-1-(3,4-ME - THYLENEDIOXYPHENYL)-9H-PYRIDO-(3,4-B)INDOLE-3-CARBOXYLATE

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 627.5±55.0 °C at 760 mmHg
• 熔点: 230-232℃
• 分子式: C₂₂H₁₉ClN₂O₅
• 分子量: 426.850
• 闪点: 333.3±31.5 °C
• 精确质量: 426.098236
• PSA: 80.86000
• LogP: 2.95
• 外观性状: 固体;White to Light yellow powder to crystal
• 蒸汽压: 0.0±1.8 mmHg at 25°C
• 折射率: 1.666
• 储存条件: <0°C;存放于惰性气体之中;避免空气,加热

安全

• 海关编码: 2934999090

合成路线

120-57-0 14907-27-8 79-04-9 ~86% 171489-59-1

文献：INTERQUIM, S.A.; BERZOSA RODRIGUEZ, Xavier; MARQUILLAS OLONDRIZ, Francisco Patent: WO2012/107549 A1, 2012 ; Location in patent: Page/Page column 12 ; WO 2012/107549 A1

14907-27-8 ~% 171489-59-1

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 3 p. 789 - 792

120-57-0 ~% 171489-59-1

文献：Journal of Medicinal Chemistry, , vol. 46, # 21 p. 4533 - 4542

4299-70-1 ~% 171489-59-1

文献：Journal of Medicinal Chemistry, , vol. 46, # 21 p. 4533 - 4542

1039484-71-3 79-04-9 ~% 171489-59-1 629652-40-0

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 7 p. 2582 - 2584

749864-17-3 ~% 171489-59-1

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 13, # 8 p. 1425 - 1428

153-94-6 ~% 171489-59-1

文献：RSC Advances, , vol. 4, # 3 p. 1204 - 1211

79-04-9 171596-41-1 ~92% 171489-59-1

文献：Xiao, Sen; Shi, Xiao-Xin; Xing, Jing; Yan, Jing-Jing; Liu, Shi-Ling; Lu, Wei-Dong Tetrahedron Asymmetry, 2009 , vol. 20, # 18 p. 2090 - 2096

上下游产品

上游产品  8
79-04-9 171596-41-1 120-57-0 14907-27-8
4299-70-1 1039484-71-3 749864-17-3 153-94-6
下游产品  3
171596-27-3 171596-29-5 171596-36-4

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%