ChemicalBook--->CAS DataBase List--->138343-75-6

138343-75-6

138343-75-6 Structure

138343-75-6 Structure
IdentificationBack Directory
[Name]

2-(BOC-AMINO)-3-METHYLPYRIDINE
[CAS]

138343-75-6
[Synonyms]

112777
BUTTPARK 92\50-22
2-BOC-Amino-3-picoline
N-Boc-3-methylpyridin-2-amine
2-(BOC-AMINO)-3-METHYLPYRIDINE
N-Boc-3-isopropylpyridin-2-amine
2-(Boc-amino)-3-methylpyridine 97%
2-(N-BOC-AMINO)-3-METHYLPYRIDINE, 97%
t-Butyl 3-methylpyridin-2-ylcarbamate
Carbamic acid, (3-methyl-2-pyridinyl)-
tert-butyl (3-Methylpyridin-2-yl)carbaMate
2-tert-butoxycarbonylamino-3-methylpyridine
tert-butyl N-(3-Methylpyridin-2-yl)carbaMate
2-(BOC-AMINO)-3-METHYLPYRIDINE ISO 9001:2015 REACH
(3-METHYLPYRIDINE-2-YL)CARBAMIC ACID TERT-BUTYL ESTER
Carbamic acid, N-(3-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester
Carbamic acid, (3-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester (9CI)
[Molecular Formula]

C11H16N2O2
[MDL Number]

MFCD03425358
[MOL File]

138343-75-6.mol
[Molecular Weight]

208.26
Chemical PropertiesBack Directory
[Melting point ]

134-138 °C (lit.)
[Boiling point ]

268.5±28.0 °C(Predicted)
[density ]

1.108±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[pka]

12.56±0.70(Predicted)
[Appearance]

White to off-white Solid
[InChI]

1S/C11H16N2O2/c1-8-6-5-7-12-9(8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)
[InChIKey]

MJPLUXLNYQHWIU-UHFFFAOYSA-N
[SMILES]

Cc1cccnc1NC(=O)OC(C)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317-H319
[Precautionary statements ]

P280-P301+P312+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36-43
[Safety Statements ]

26-36/37
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Synthesis Reference(s)]

Tetrahedron, 64, p. 500, 2008 DOI: 10.1016/j.tet.2007.11.011
[Synthesis]

2-Amino-3-picoline

1603-40-3

Di-tert-butyl dicarbonate

24424-99-5

2-(BOC-AMINO)-3-METHYLPYRIDINE

138343-75-6

General procedure for the synthesis of 2-(Boc-amino)-3-methylpyridine from 2-amino-3-methylpyridine and di-tert-butyl dicarbonate: di-tert-butyl dicarbonate (50.0 g) was dissolved in n-hexane (55 mL), heated to 58 °C with continuous stirring. Subsequently, a solution of ethyl acetate (20 mL) of 2-amino-3-methylpyridine (15.5 g) was added slowly and dropwise to this solution. The reaction mixture was heated and stirred at 58°C for 3 hours and then cooled to room temperature. The reaction mixture was diluted by addition of hexane (30 mL) and stirring was continued for 1.5 hours. The precipitated white solid precipitate was collected by filtration and dried to give 25.8 g of 2-(Boc-amino)-3-methylpyridine in 86% yield. Mass spectrometry (FAB) analysis showed m/z: 209 (M + H)+.

[References]

[1] Organic Process Research and Development, 2010, vol. 14, # 1, p. 168 - 173
[2] Patent: EP1764360, 2007, A1. Location in patent: Page/Page column 195
[3] Synthesis, 1996, # 7, p. 877 - 882
[4] Tetrahedron, 2008, vol. 64, # 3, p. 500 - 507
[5] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 21, p. 6582 - 6591
Spectrum DetailBack Directory
[Spectrum Detail]

2-(BOC-AMINO)-3-METHYLPYRIDINE(138343-75-6)1HNMR
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