3-Pyridinecarboxylic acid, 6-chloro-, 1-oxide

Base Information

Chemical Name:3-Pyridinecarboxylic acid, 6-chloro-, 1-oxide
CAS No.:90327-03-0
Molecular Formula:C6H4ClNO3
Molecular Weight:173.55400
Hs Code.:
ChEMBL ID:CHEMBL3110052
DSSTox Substance ID:DTXSID90466454
Nikkaji Number:J1.551.856A
Wikidata:Q82293023
Mol file:90327-03-0.mol

Synonyms:90327-03-0;3-Pyridinecarboxylic acid, 6-chloro-, 1-oxide;6-chloronicotinic acid N-oxide;5-carboxy-2-chloropyridine 1-oxide;6-chloro-1-oxidopyridin-1-ium-3-carboxylic acid;6-Chloronicotinic acid 1-oxide;SCHEMBL3224615;CHEMBL3110052;DTXSID90466454;IOBHGRBPVCQMNI-UHFFFAOYSA-N;AM87397

Suppliers and Price of 3-Pyridinecarboxylic acid, 6-chloro-, 1-oxide

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
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price

Total 5 raw suppliers

Chemical Property of 3-Pyridinecarboxylic acid, 6-chloro-, 1-oxide

Chemical Property:

PSA：62.76000
LogP:1.46670
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:172.9879707
Heavy Atom Count:11
Complexity:164

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=[N+](C=C1C(=O)O)[O-])Cl

Technology Process of 3-Pyridinecarboxylic acid, 6-chloro-, 1-oxide

There total 3 articles about 3-Pyridinecarboxylic acid, 6-chloro-, 1-oxide 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%

: 677763-16-5
methyl 6-chloropyridine-3-carboxylate 1-oxide

: 90327-03-0
6-chloronicotinic acid N-oxide

Guidance literature:: methyl 6-chloropyridine-3-carboxylate 1-oxide; With sodium hydroxide; In methanol; for 1h; Reflux;

With hydrogenchloride; In water; at 0 ℃; pH=4-5;
DOI:10.1021/jm401249c

Reference yield: 93.0%

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

: 90327-03-0
6-chloronicotinic acid N-oxide

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 45 ℃; for 24h;

Reference yield:

: 73781-91-6
6-Chloronicotinic acid methyl ester

: 90327-03-0
6-chloronicotinic acid N-oxide

Guidance literature:: Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 4 h / 20 °C

2: potassium hydroxide; water / 3 h / 100 °C

With water; 3-chloro-benzenecarboperoxoic acid; potassium hydroxide; In dichloromethane;
DOI:10.1002/cmdc.201600180