5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid

Modify Date: 2024-01-09 21:34:29

5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid Structure
5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid structure
Common Name 5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid
CAS Number 171178-46-4 Molecular Weight 272.685
Density 1.4±0.1 g/cm3 Boiling Point 420.6±45.0 °C at 760 mmHg
Molecular Formula C11H13ClN2O4 Melting Point N/A
MSDS N/A Flash Point 208.2±28.7 °C

 Names

Name 2-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 420.6±45.0 °C at 760 mmHg
Molecular Formula C11H13ClN2O4
Molecular Weight 272.685
Flash Point 208.2±28.7 °C
Exact Mass 272.056396
PSA 88.52000
LogP 4.38
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.588

 Safety Information

Risk Phrases 20/21/22
Safety Phrases 36/37-24/25
HS Code 2933399090

 Synthetic Route

~68%

5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid Structure

5-[(tert-butoxy...

CAS#:171178-46-4

Literature: WARNER-LAMBERT COMPANY LLC Patent: WO2005/16926 A1, 2005 ; Location in patent: Page/Page column 114-115 ; WO 2005/016926 A1

~57%

5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid Structure

5-[(tert-butoxy...

CAS#:171178-46-4

Literature: Warner-Lambert Company Patent: US5654307 A1, 1997 ; US 5654307 A

~%

5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid Structure

5-[(tert-butoxy...

CAS#:171178-46-4

Literature: WO2006/24834 A1, ; Page/Page column 74-75 ; WO 2006/024834 A1

~%

5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid Structure

5-[(tert-butoxy...

CAS#:171178-46-4

Literature: EP1171440 B1, ; Page 59 ;

~34%

5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid Structure

5-[(tert-butoxy...

CAS#:171178-46-4

Literature: Gavai, Ashvinikumar V.; Norris, Derek J.; Han, Wen-Ching; Vite, Gregory D.; Fink, Brian E.; Tokarski, John S. Patent: US2005/192310 A1, 2005 ; Location in patent: Page/Page column 28 ;

~%

5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid Structure

5-[(tert-butoxy...

CAS#:171178-46-4

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 11, # 11 p. 1401 - 1405

~%

5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid Structure

5-[(tert-butoxy...

CAS#:171178-46-4

Literature: Journal of the Chemical Society - Perkin Transactions 1, , # 18 p. 2221 - 2226

~%

5-[(tert-butoxycarbonyl)amino]-2-chloroisonicotinic acid Structure

5-[(tert-butoxy...

CAS#:171178-46-4

Literature: Journal of the Chemical Society - Perkin Transactions 1, , # 18 p. 2221 - 2226

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

4-Pyridinecarboxylic acid, 2-chloro-5-[[(1,1-dimethylethoxy)carbonyl]amino]-
5-[N-(tert-butoxycarbonyl)amino]-2-chloropyridine-4-carboxylic acid
5-Amino-2-chloroisonicotinic acid,5-BOC protected
5-Boc-amino-2-chloropyridine-4-carboxylic acid
5-[(tert-butoxy)carbonylamino]-2-chloropyridine-4-carboxylic acid
2-Chloro-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)isonicotinic acid
5-((tert-butoxycarbonyl)amino)-2-chloroisonicotinic acid
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