2-chloro-N-isopropylnicotinamide

Base Information

Chemical Name:2-chloro-N-isopropylnicotinamide
CAS No.:56904-63-3
Molecular Formula:C9H11ClN2O
Molecular Weight:198.64900
Hs Code.:
DSSTox Substance ID:DTXSID60358554
Wikidata:Q82139192

Synonyms:2-chloro-N-isopropylnicotinamide;56904-63-3;2-chloro-N-propan-2-ylpyridine-3-carboxamide;Oprea1_391415;SCHEMBL24571401;DTXSID60358554;AKOS000163322;SB54840;AJ-333/36116055;A1-07747

Suppliers and Price of 2-chloro-N-isopropylnicotinamide

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
2-Chloro-N-isopropylnicotinamide
500mg
$ 237.00

Matrix Scientific
2-Chloro-N-isopropylnicotinamide
2.500g
$ 720.00

Crysdot
2-Chloro-N-isopropylnicotinamide 95+%
5g
$ 499.00

American Custom Chemicals Corporation
2-CHLORO-N-ISOPROPYLNICOTINAMIDE 95.00%
2.5G
$ 1468.50

American Custom Chemicals Corporation
2-CHLORO-N-ISOPROPYLNICOTINAMIDE 95.00%
500MG
$ 837.38

A1 Biochem Labs
2-Chloro-N-isopropylnicotinamide 95%
5 g
$ 450.00

Total 4 raw suppliers

Chemical Property of 2-chloro-N-isopropylnicotinamide

Chemical Property:

Boiling Point:343.1±27.0 °C(Predicted)
PKA:13.24±0.46(Predicted)
PSA：45.48000
Density:1.180±0.06 g/cm3(Predicted)
LogP:2.44800
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:198.0559907
Heavy Atom Count:13
Complexity:185

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-N-isopropylnicotinamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)NC(=O)C1=C(N=CC=C1)Cl

Technology Process of 2-chloro-N-isopropylnicotinamide

There total 4 articles about 2-chloro-N-isopropylnicotinamide 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: 72.0%

: 49609-84-9
2-Chloronicotinoyl chloride

: 75-31-0
isopropylamine

: 56904-63-3
N-isopropyl-2-chloronicotinamide

Guidance literature:: In dichloromethane; at 0 - 20 ℃; for 4h;
DOI:10.1016/j.ejmech.2012.12.016

Reference yield:

: 2942-59-8
2-chloronicotinic acid

: 56904-63-3
N-isopropyl-2-chloronicotinamide

Guidance literature:: Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide; thionyl chloride / 6 h / Reflux

2: dichloromethane / 4 h / 0 - 20 °C

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1016/j.ejmech.2012.12.016

Reference yield:

: 75-31-0
isopropylamine

: 100-46-9
benzylamine

: 56904-63-3
N-isopropyl-2-chloronicotinamide

Guidance literature:: With 4-methyl-morpholine; isobutyl chloroformate; Yield given. Multistep reaction; 1.) THF, -10 deg C, 30 min, 2.) RT, 18 h;
DOI:10.1021/jm00105a015