N-(Cyanomethyl)-2-(4-fluorobenzoyl)-N-methyl-3-pyridinecarboxamide

Base Information

Chemical Name:N-(Cyanomethyl)-2-(4-fluorobenzoyl)-N-methyl-3-pyridinecarboxamide
CAS No.:168542-44-7
Molecular Formula:C₁₆H₁₂FN₃O₂
Molecular Weight:297.289
Hs Code.:
DSSTox Substance ID:DTXSID801166285

Synonyms:SCHEMBL7843042;DTXSID801166285;N-(Cyanomethyl)-2-(4-fluorobenzoyl)-N-methyl-3-pyridinecarboxamide;168542-44-7

Suppliers and Price of N-(Cyanomethyl)-2-(4-fluorobenzoyl)-N-methyl-3-pyridinecarboxamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of N-(Cyanomethyl)-2-(4-fluorobenzoyl)-N-methyl-3-pyridinecarboxamide

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:297.09135480
Heavy Atom Count:22
Complexity:465

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN(CC#N)C(=O)C1=C(N=CC=C1)C(=O)C2=CC=C(C=C2)F

Technology Process of N-(Cyanomethyl)-2-(4-fluorobenzoyl)-N-methyl-3-pyridinecarboxamide

There total 3 articles about N-(Cyanomethyl)-2-(4-fluorobenzoyl)-N-methyl-3-pyridinecarboxamide 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:

: 122853-81-0
2-(4-fluorobenzoyl)-3-pyridinecarboxylic acid

: 168542-44-7
N-cyanomethyl-N-methyl-2-(4-fluorobenzoyl)-3-pyridinecarboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂, DMF / CH₂Cl₂ / 2 h / Heating

2: Et₃N / CH₂Cl₂ / 16 h / Ambient temperature

With thionyl chloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1248/cpb.45.1642

Reference yield:

: 352-13-6
4-flourophenylmagnesium bromide

: 168542-44-7
N-cyanomethyl-N-methyl-2-(4-fluorobenzoyl)-3-pyridinecarboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: tetrahydrofuran / 1 h / Ambient temperature

2: SOCl₂, DMF / CH₂Cl₂ / 2 h / Heating

3: Et₃N / CH₂Cl₂ / 16 h / Ambient temperature

With thionyl chloride; triethylamine; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;
DOI:10.1248/cpb.45.1642