5,7-Dihydro-2-(trifluoromethyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester

Modify Date: 2024-02-15 18:09:21

5,7-Dihydro-2-(trifluoromethyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester Structure
5,7-Dihydro-2-(trifluoromethyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester structure
Common Name 5,7-Dihydro-2-(trifluoromethyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester
CAS Number 905274-03-5 Molecular Weight 289.25400
Density 1.334g/cm3 Boiling Point 301.8ºC at 760 mmHg
Molecular Formula C12H14F3N3O2 Melting Point N/A
MSDS N/A Flash Point 136.4ºC

 Names

Name tert-butyl 2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.334g/cm3
Boiling Point 301.8ºC at 760 mmHg
Molecular Formula C12H14F3N3O2
Molecular Weight 289.25400
Flash Point 136.4ºC
Exact Mass 289.10400
PSA 55.32000
LogP 2.68400
Index of Refraction 1.496

 Safety Information

HS Code 2933990090

 Synthetic Route

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5,7-Dihydro-2-(trifluoromethyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester Structure

5,7-Dihydro-2-(...

CAS#:905274-03-5

Literature: MERCK and CO., INC. Patent: WO2007/97931 A2, 2007 ; Location in patent: Page/Page column 32-33 ; WO 2007/097931 A2

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5,7-Dihydro-2-(trifluoromethyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester Structure

5,7-Dihydro-2-(...

CAS#:905274-03-5

Literature: MERCK and CO., INC. Patent: WO2006/127530 A2, 2006 ; Location in patent: Page/Page column 39 ; WO 2006/127530 A2

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5,7-Dihydro-2-(trifluoromethyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester Structure

5,7-Dihydro-2-(...

CAS#:905274-03-5

Literature: Biftu, Tesfaye; Qian, Xiaoxia; Chen, Ping; Feng, Dennis; Scapin, Giovanna; Gao, Ying-Duo; Cox, Jason; Sinha Roy, Ranabir; Eiermann, George; He, Huabing; Lyons, Kathy; Salituro, Gino; Patel, Sangita; Petrov, Alexander; Xu, Feng; Xu, Shiyao Sherrie; Zhang, Bei; Caldwell, Charles; Wu, Joseph K.; Weber, Ann E. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 19 p. 5361 - 5366

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-Trifluoromethyl-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
tert-butyl 2-(trifluoromethyl)-5H,6H,7H-npyrrolo[3,4-d]pyrimidine-6-carboxylate
TERT-BUTYL 2-(TRIFLUOROMETHYL)-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE