N-(tert-Butyl)-6-chloronicotinamide

Base Information

Chemical Name:N-(tert-Butyl)-6-chloronicotinamide
CAS No.:115309-58-5
Molecular Formula:C10H13ClN2O
Molecular Weight:212.679
Hs Code.:2933399090
European Community (EC) Number:814-249-5
DSSTox Substance ID:DTXSID70473525
Nikkaji Number:J2.298.345H
Wikidata:Q72459540
Mol file:115309-58-5.mol

Synonyms:115309-58-5;N-(tert-Butyl)-6-chloronicotinamide;N-t-Butyl 6-chloronicotinamide;6-CHLORO-N-TERT-BUTYLNICOTINAMIDE;N-TERT-BUTYL-6-CHLOROPYRIDINE-3-CARBOXAMIDE;3-Pyridinecarboxamide, 6-chloro-N-(1,1-dimethylethyl)-;SCHEMBL3531806;N-tertbutyl-6-Chloronicotinamide;DTXSID70473525;N-tert-butyl-6-chloronicotinamide;OJIUMMXADBUVFN-UHFFFAOYSA-N;MFCD08460992;N-tert.-butyl-6-chloro-nicotinamide;AKOS000148527;DS-6544;N-t-Butyl-6-chloro-3-pyridinecarboxamide;CS-0097451;N-tert-butyl-6-chloro-3-pyridinecarboxamide;EN300-7377475;N-tert-butyl-6-chloranyl-pyridine-3-carboxamide;A803412;Z54128040

Suppliers and Price of N-(tert-Butyl)-6-chloronicotinamide

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
N-t-Butyl6-chloronicotinamide
100mg
$ 45.00

TRC
N-t-Butyl6-chloronicotinamide
500mg
$ 65.00

Sigma-Aldrich
N-tert-Butyl-6-chloronicotinamide
8439210025
$ 148.00

Sigma-Aldrich
N-tert-Butyl-6-chloronicotinamide for synthesis
25 g
$ 141.52

Sigma-Aldrich
N-tert-Butyl-6-chloronicotinamide
8439210005
$ 43.70

Sigma-Aldrich
N-tert-Butyl-6-chloronicotinamide for synthesis
5 g
$ 41.81

Crysdot
N-(tert-Butyl)-6-chloronicotinamide 97%
100g
$ 356.00

Chemenu
N-(tert-Butyl)-6-chloronicotinamide 97%
100g
$ 337.00

American Custom Chemicals Corporation
3-PYRUDUNECARBOXAMIDE-6-CHLORO-N-(1,1-DIMETHYL-ETHYL) 95.00%
1G
$ 660.95

Ambeed
N-(tert-Butyl)-6-chloronicotinamide 97%
5g
$ 26.00

Total 26 raw suppliers

Chemical Property of N-(tert-Butyl)-6-chloronicotinamide

Chemical Property:

Vapor Pressure:2.41E-05mmHg at 25°C
Melting Point:106.0-106.8 °C
Refractive Index:1.526
Boiling Point:359.227 °C at 760 mmHg
Flash Point:171.054 °C
PSA：41.99000
Density:1.153 g/cm³
LogP:2.65420
Storage Temp.:Inert atmosphere,Room Temperature
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:212.0716407
Heavy Atom Count:14
Complexity:213

Purity/Quality:

97% ^*data from raw suppliers

N-t-Butyl6-chloronicotinamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of N-(tert-Butyl)-6-chloronicotinamide

There total 4 articles about N-(tert-Butyl)-6-chloronicotinamide 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: 97.0%

: 5326-23-8
6-Chloro-3-pyridinecarboxylic acid

: 75-64-9
tert-butylamine

: 115309-58-5
N-tert-butyl-6-chloro-nicotinamide

Guidance literature:: 6-Chloro-3-pyridinecarboxylic acid; With thionyl chloride;

tert-butylamine;

Reference yield:

: 58757-38-3
6-Chloronicotinoyl chloride

: 75-64-9
tert-butylamine

: 115309-58-5
N-tert-butyl-6-chloro-nicotinamide

Guidance literature:: In toluene; for 1.16667h;
DOI:10.1021/jo0523666

Reference yield:

: 5326-23-8
6-Chloro-3-pyridinecarboxylic acid

: 115309-58-5
N-tert-butyl-6-chloro-nicotinamide

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂; DMF / toluene / 1.5 h / 95 °C

2: 66.8 g / toluene / 1.17 h

With thionyl chloride; N,N-dimethyl-formamide; In toluene;
DOI:10.1021/jo0523666