N-tert-Butyl-3-methylpyridine-2-carboxamide

Base Information

• Chemical Name: N-tert-Butyl-3-methylpyridine-2-carboxamide
• CAS No.: 32998-95-1
• Molecular Formula: C11H16 N2 O
• Molecular Weight: 192.261
• Hs Code.: 2933399090
• European Community (EC) Number: 406-720-5,620-531-7
• DSSTox Substance ID: DTXSID40420182
• Nikkaji Number: J2.413.048G
• Mol file: 32998-95-1.mol

Synonyms:32998-95-1;N-tert-Butyl-3-methylpyridine-2-carboxamide;N-(tert-Butyl)-3-methylpicolinamide;N-tert-Butyl-3-methylpicolinamide;N-T-BUTYL-3-METHYL PYRIDINE-2-CARBOXAMIDE;EC 406-720-5;3-Methyl-pyridine-2-carboxylic acid tert-butylamide;SCHEMBL4605525;DTXSID40420182;XYBOIZQGIVYRFV-UHFFFAOYSA-N;MFCD04108091;AKOS005064513;DH-0711;SB52650;CS-0172072;FT-0753767;EN300-748952;3-methyl-pyridine-2-carboxylic acid t-butylamide;3-Methylpyridine-2-carboxylic acid tert-butylamide;A918371;3-methylpyridine-2-carboxylic acid N-tert.-butylamide;N-(1,1-dimethylethyl)-3-methyl-2-pyridinecarboxamide;N-(1,1-dimethylethyl)-3-methyl-2pyridine carboxamide;N-(1, 1-dimethylethyl)-3-methyl-2-pyridine carboxamide;N-(1,1 -dimethylethyl)-3-methyl-2-pyridine carboxamide;N-(1,1- dimethylethyl)-3-methyl-2-pyridine carboxamide;N-(1,1-dimethylethyl)-3-methyl-2-pyridine carboxamide;N-(1,1-dimethylethyl)-3-methyl-2-pyridine-carboxamide

Chemical Property of N-tert-Butyl-3-methylpyridine-2-carboxamide

Chemical Property:

• Vapor Pressure: 0.000137mmHg at 25°C
• Melting Point: 58.0 °C
• Refractive Index: 1.511
• Boiling Point: 333.4°C at 760 mmHg
• PKA: 13.91±0.46(Predicted)
• Flash Point: 155.5°C
• PSA: 41.99000
• Density: 1.018g/cm³
• LogP: 2.30920
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

99.9% ^*data from raw suppliers

N-(tert-Butyl)-3-methylpicolinamide ^*data from reagent suppliers

Safty Information:

• Statements: 52/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=CC=C1)C(=O)NC(C)(C)C
• Uses: N-(tert-Butyl)-3-methylpicolinamide is a reactant used in the preparation of a 2,6-naphthyridine derivative as a dual protein kinase C/D (PKC/PKD) inhibitor with the potential to be used in heart failure therapy.

Technology Process of N-tert-Butyl-3-methylpyridine-2-carboxamide

There total 1 articles about N-tert-Butyl-3-methylpyridine-2-carboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-methyl-piperidyl magnesium chloride + 3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile (31255-57-9) → [3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl]-1-methyl-4-piperidinyl methanone hydrochloride + N-tert-butyl-3-methylpyridine-2-carboxamide (32998-95-1)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In tetrahydrofuran;

Reference yield: 99.0%

N-tert-butyl-3-methylpyridine-2-carboxamide (32998-95-1) + 1-chloromethyl-4-fluorobenzene (352-11-4) → N-(1,1-Dimethylethyl)-3-[2-(4-Fluorophenyl)-Ethyl]-2-Pyridine Carboxamide (111108-52-2)

Guidance literature:

With n-butyllithium; sodium bromide; In tetrahydrofuran; water;

Reference yield: 98.8%

N-tert-butyl-3-methylpyridine-2-carboxamide (32998-95-1) + 1-Chloro-3-chloromethyl-benzene (620-20-2,130468-19-8) → 3-<2-(3-chlorophenyl)ethyl>-N-(1,1-dimethylethyl)-2-pyridinecarboxamide (107285-30-3)

Guidance literature:

N-tert-butyl-3-methylpyridine-2-carboxamide; With n-butyllithium; sodium bromide; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

1-Chloro-3-chloromethyl-benzene; In tetrahydrofuran; water; for 2h; Inert atmosphere;

upstream raw materials:

3-[2-(3-chlorophenyl)ethyl]-2-pyridine-carbonitrile

Downstream raw materials:

3-[2-(3,4-dichlorophenyl)ethyl]-N-(1,1-dimethylethyl)-2-pyridine carboxamide

3-(2-m-Tolyl-ethyl)-pyridine-2-carboxylic acid tert-butylamide

3-[2-(3-Methoxy-phenyl)-ethyl]-pyridine-2-carboxylic acid tert-butylamide

3-[2-(3-fluorophenyl)ethyl]-N-(1,1-dimethylethyl)-2-pyridine carboxamide

Refernces