2-Chloro-N-isopropylisonicotinamide

Base Information

Chemical Name:2-Chloro-N-isopropylisonicotinamide
CAS No.:439931-33-6
Molecular Formula:C₉H₁₁ClN₂O
Molecular Weight:198.652
Hs Code.:2933399090
European Community (EC) Number:966-176-4
DSSTox Substance ID:DTXSID50476034
Nikkaji Number:J2.700.257I
Wikidata:Q82306954
Mol file:439931-33-6.mol

Synonyms:2-CHLORO-N-ISOPROPYLISONICOTINAMIDE;439931-33-6;2-chloro-N-propan-2-ylpyridine-4-carboxamide;2-Chloro-N-isopropyl-isonicotinamide;Oprea1_510904;SCHEMBL2801067;DTXSID50476034;QZSSGGZMSWRLKH-UHFFFAOYSA-N;MFCD02931394;AKOS000205846;SB53812;BS-36659;2-chloro-N-(propan-2-yl)pyridine-4-carboxamide;EN300-8045484;Z147122750

Suppliers and Price of 2-Chloro-N-isopropylisonicotinamide

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

TRC
2-Chloro-N-isopropylisonicotinamide
50mg
$ 45.00

TRC
2-Chloro-N-isopropylisonicotinamide
100mg
$ 60.00

Crysdot
2-Chloro-N-isopropylisonicotinamide 95+%
1g
$ 713.00

Chemenu
2-Chloro-N-isopropylisonicotinamide 95%
1g
$ 673.00

ChemBridge Corporation
2-chloro-N-isopropylisonicotinamide 95%
1 g
$ 46.00

American Custom Chemicals Corporation
2-CHLORO-N-ISOPROPYL-ISONICOTINAMIDE 95.00%
5MG
$ 495.32

Total 6 raw suppliers

Chemical Property of 2-Chloro-N-isopropylisonicotinamide

Chemical Property:

Vapor Pressure:7.72E-05mmHg at 25°C
Boiling Point:342oC at 760 mmHg
PKA:13.18±0.46(Predicted)
Flash Point:160.7oC
PSA：41.99000
Density:1.18g/cm3
LogP:2.26410
XLogP3:1.7
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:

97% ^*data from raw suppliers

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-N-isopropylisonicotinamide

There total 3 articles about 2-Chloro-N-isopropylisonicotinamide 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: 100.0%

: 65287-34-5
2-chloropyridine-4-carbonyl chloride

: 75-31-0
isopropylamine

: 439931-33-6
2-chloro-N-isopropylisonicotinamide

Guidance literature:: With triethylamine; In dichloromethane; at 0 ℃; for 2h;

Reference yield:

: 6313-54-8
2-chloroisonicotinic acid,

: 75-31-0
isopropylamine

: 439931-33-6
2-chloro-N-isopropylisonicotinamide

Guidance literature:: 2-chloroisonicotinic acid,; With thionyl chloride; N,N-dimethyl-formamide; In acetonitrile; for 1h; Heating;

isopropylamine; With triethylamine; In dichloromethane; at 0 ℃; for 2h;
DOI:10.1021/jo060928v

Reference yield:

: 6313-54-8
2-chloroisonicotinic acid,

: 439931-33-6
2-chloro-N-isopropylisonicotinamide

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride / 1 h / Heating

2: triethylamine / benzene / 1 h / Heating

With thionyl chloride; triethylamine; In benzene;
DOI:10.1023/A:1021258510259