171489-59-1
171489-59-1 structure
- Name: Chloropretadalafil
- Chemical Name: (1r,3r)-methyl-1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4-methylenedioxyphenyl)-9h-pyrido[3,4-b]indole-3-carboxylate
- CAS Number: 171489-59-1
- Molecular Formula: C22H19ClN2O5
- Molecular Weight: 426.850
- Create Date: 2019-01-09 09:00:43
- Modify Date: 2024-01-02 01:15:41
| Name | (1r,3r)-methyl-1,2,3,4-tetrahydro-2-chloroacetyl-1-(3,4-methylenedioxyphenyl)-9h-pyrido[3,4-b]indole-3-carboxylate |
|---|---|
| Synonyms |
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 |
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 627.5±55.0 °C at 760 mmHg |
| Melting Point | 230-232℃ |
| Molecular Formula | C22H19ClN2O5 |
| Molecular Weight | 426.850 |
| Flash Point | 333.3±31.5 °C |
| Exact Mass | 426.098236 |
| PSA | 80.86000 |
| LogP | 2.95 |
| Vapour Pressure | 0.0±1.8 mmHg at 25°C |
| Index of Refraction | 1.666 |
| HS Code | 2934999090 |
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~86%
171489-59-1 |
| Literature: 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 |
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171489-59-1 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 3 p. 789 - 792 |
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171489-59-1 |
| Literature: Journal of Medicinal Chemistry, , vol. 46, # 21 p. 4533 - 4542 |
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| Literature: Journal of Medicinal Chemistry, , vol. 46, # 21 p. 4533 - 4542 |
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| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 7 p. 2582 - 2584 |
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| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 13, # 8 p. 1425 - 1428 |
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171489-59-1 |
| Literature: RSC Advances, , vol. 4, # 3 p. 1204 - 1211 |
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~92%
171489-59-1 |
| Literature: 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 |
| Precursor 8 | |
|---|---|
| DownStream 3 | |
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |