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220731-04-4

220731-04-4 Structure

220731-04-4 Structure
IdentificationBack Directory
[Name]

Carbamic acid, (5-amino-2-pyridinyl)-, 1,1-dimethylethyl ester (9CI)
[CAS]

220731-04-4
[Synonyms]

tert-Butyl (5-aminopyridin-2-yl)
tert-butyl 5-aminopyridin-2-ylcarbamate
ert-butylN-(5-aminopyridin-2-yl)carbamate
tert-Butyl N-(5-aminopyridin-2-yl)carbamate
Carbamic acid, (5-amino-2-pyridinyl)-, 1,1-dimethylethyl ester
Carbamic acid, N-(5-amino-2-pyridinyl)-, 1,1-dimethylethyl ester
Carbamic acid, (5-amino-2-pyridinyl)-, 1,1-dimethylethyl ester (9CI)
[Molecular Formula]

C10H15N3O2
[MDL Number]

MFCD11182697
[MOL File]

220731-04-4.mol
[Molecular Weight]

209.24
Chemical PropertiesBack Directory
[Boiling point ]

330.2±27.0 °C(Predicted)
[density ]

1.202±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[pka]

12.19±0.70(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-8-5-4-7(11)6-12-8/h4-6H,11H2,1-3H3,(H,12,13,14)
[InChIKey]

NHVPESPHUUFULF-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)NC1=NC=C(N)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H302-H315-H319
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[Risk Statements ]

43
[Safety Statements ]

36/37
Spectrum DetailBack Directory
[Spectrum Detail]

Carbamic acid, (5-amino-2-pyridinyl)-, 1,1-dimethylethyl ester (9CI)(220731-04-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

CARBAMIC ACID, (5-NITRO-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER

161117-88-0

Carbamic acid, (5-amino-2-pyridinyl)-, 1,1-dimethylethyl ester (9CI)

220731-04-4

General procedure for the synthesis of tert-butyl (5-aminopyridin-2-yl)carbamate from tert-butyl (5-nitropyridin-2-yl)carbamate: tert-butyl (5-nitropyridin-2-yl)carbamate (1 eq.), 10% palladium carbon by weight of the raw material and ethyl acetate were added to a reaction flask under hydrogen atmosphere. The reaction mixture was stirred and reacted at room temperature overnight. Upon completion of the reaction, the mixture was filtered through a diatomaceous earth pad and the filtrate was concentrated under reduced pressure to give the target product tert-butyl (5-aminopyridin-2-yl)carbamate. The product was analyzed by HPLC-MS (Method A): retention time Rt = 1.50 min, molecular ion peak [M + H]+ m/z: 210. The reaction yield was quantitative.

[References]

[1] Patent: WO2016/120808, 2016, A1. Location in patent: Page/Page column 104
[2] Patent: US2010/249099, 2010, A1. Location in patent: Page/Page column 96
[3] Patent: US2011/9405, 2011, A1. Location in patent: Page/Page column 54
[4] Patent: EP2518071, 2012, A1. Location in patent: Page/Page column 41-42
[5] Patent: WO2012/146667, 2012, A1. Location in patent: Page/Page column 95-96
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