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

Modify Date: 2024-01-29 15:20:38

5,7-Dihydro-2-(methylthio)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester Structure
5,7-Dihydro-2-(methylthio)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester structure
Common Name 5,7-Dihydro-2-(methylthio)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester
CAS Number 365996-86-7 Molecular Weight 267.347
Density 1.26±0.1 g/cm3 Boiling Point 402.9±45.0 °C at 760 mmHg
Molecular Formula C12H17N3O2S Melting Point N/A
MSDS N/A Flash Point 197.4±28.7 °C

 Names

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

 Chemical & Physical Properties

Density 1.26±0.1 g/cm3
Boiling Point 402.9±45.0 °C at 760 mmHg
Molecular Formula C12H17N3O2S
Molecular Weight 267.347
Flash Point 197.4±28.7 °C
Exact Mass 267.104156
PSA 80.62000
LogP 1.24
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.586
Water Solubility Very slightly soluble (0.32 g/L) (25 ºC)

 Safety Information

HS Code 2933990090

 Synthetic Route

~74%

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

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

CAS#:365996-86-7

Literature: ALLERGAN, INC.; Hull, III, Clarence E.; Malone, Thomas C. Patent: US2013/237537 A1, 2013 ; Location in patent: Paragraph 0294-0295 ;

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

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

CAS#:365996-86-7

Literature: MERCK and CO., INC. Patent: WO2006/127530 A2, 2006 ; Location in patent: Page/Page column 41-42 ; WO 2006/127530 A2

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

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

CAS#:365996-86-7

Literature: DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1577302 A1, 2005 ; Location in patent: Page/Page column 91 ;

~%

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

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

CAS#:365996-86-7

Literature: DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1405852 A1, 2004 ; Location in patent: Page 83 ; EP 1405852 A1

~%

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

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

CAS#:365996-86-7

Literature: DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1270557 A1, 2003 ;

~%

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

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

CAS#:365996-86-7

Literature: ALLERGAN, INC.; Hull, III, Clarence E.; Malone, Thomas C. Patent: US2013/237538 A1, 2013 ;

 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

6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 5,7-dihydro-2-(methylthio)-, 1,1-dimethylethyl ester
tert-butyl 2-(methylthio)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
TERT-BUTYL 2-(METHYLTHIO)-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE
2-(methylsulfanyl)-5,7-dihydro-6H-pyrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
QC-5055
tert-Butyl 2-(methylsulfanyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
2-Methyl-2-propanyl 2-(methylsulfanyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
6-(tert-Butoxycarbonyl)-5,7-dihydro-2-methylthiopyrrolo-[3,4-d]pyrimidine
5,7-Dihydro-2-(methylthio)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid 1,1-dimethylethyl ester
6-Boc-2-(methylthio)-5,7-dihydropyrrolo[3,4-d]pyrimidine
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