2-Chloro-3-methylisonicotinic acid

Base Information

Chemical Name:2-Chloro-3-methylisonicotinic acid
CAS No.:133928-73-1
Molecular Formula:C7H6ClNO2
Molecular Weight:171.583
Hs Code.:2933399990
European Community (EC) Number:861-759-9
DSSTox Substance ID:DTXSID60567866
Wikidata:Q82453902
Mol file:133928-73-1.mol

Synonyms:2-Chloro-3-methylisonicotinic acid;133928-73-1;2-CHLORO-3-METHYL-4-PYRIDINECARBOXYLIC ACID;2-CHLORO-3-METHYLPYRIDINE-4-CARBOXYLIC ACID;MFCD16610679;2-Chloro-3-methyl-4-pyridinecarboxylicAcid;SCHEMBL581067;DTXSID60567866;JYVLCHBMNCMRBO-UHFFFAOYSA-N;AMY17483;2-Chloro-3-methyl-isonicotinic acid;AKOS016002365;AB71250;2-CHLORO-3-METHYLISONICOTINICACID;AS-32277;SY019118;CS-0040466;EN300-194270;A849263;Z1255389253;Not available;2-Chloro-3-methyl-4-pyridinecarboxylic Acid

Suppliers and Price of 2-Chloro-3-methylisonicotinic acid

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-3-methylisonicotinicAcid
2.5 g
$ 505.00

ChemScene
2-Chloro-3-methylisonicotinicacid
250mg
$ 152.00

ChemScene
2-Chloro-3-methylisonicotinicacid
100mg
$ 91.00

ChemScene
2-Chloro-3-methylisonicotinicacid
1g
$ 303.00

Chemenu
2-chloro-3-methylisonicotinicacid 97%
1g
$ 230.00

Apolloscientific
2-Chloro-3-methylisonicotinicacid 98%
250mg
$ 182.00

Apolloscientific
2-Chloro-3-methylisonicotinicacid 98%
1g
$ 464.00

American Custom Chemicals Corporation
2-CHLORO-3-METHYLISONICOTINIC ACID 95.00%
5MG
$ 496.47

Ambeed
2-Chloro-3-methyl-4-pyridinecarboxylicAcid 97%
100mg
$ 56.00

Ambeed
2-Chloro-3-methyl-4-pyridinecarboxylicAcid 97%
1g
$ 271.00

Total 23 raw suppliers

Chemical Property of 2-Chloro-3-methylisonicotinic acid

Chemical Property:

Boiling Point:412.7±40.0 °C(Predicted)
PKA:2.42±0.25(Predicted)
PSA：50.19000
Density:1.390±0.06 g/cm3(Predicted)
LogP:1.74160
Storage Temp.:2-8°C
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:171.0087061
Heavy Atom Count:11
Complexity:163

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-3-methylisonicotinicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=CN=C1Cl)C(=O)O
Uses 2-Chloro-3-methylisonicotinic Acid is a derivative of Isonicotinic Acid (I821760) and is used as a reagent in the synthesis of N-pyridinylmethyl benzamide derivatives as anticancer agents.

Technology Process of 2-Chloro-3-methylisonicotinic acid

There total 1 articles about 2-Chloro-3-methylisonicotinic acid 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: 96.0%

: 133928-64-0
2-chloro-3,N-dimethyl-N-phenyl-isonicotinamide

: 133928-73-1
2-chloro-3-methylisonicotinic acid

Guidance literature:: With sulfuric acid; Reflux;

Reference yield: 32.0%

: 133928-73-1
2-chloro-3-methylisonicotinic acid

: 40258-68-2
methyl 3-amino-5-chloro-4-hydroxybenzoate

: 3-chloro-5-(2-chloro-3-methylpyridine-4-amido)-4-hydroxybenzoic acid methyl ester

Guidance literature:: With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 60 ℃; for 1h;

Reference yield:

: 133928-73-1
2-chloro-3-methylisonicotinic acid

: 1195186-26-5
3-[[3-fluoro-5-(trifluoromethyl)phenyl]amino]-N,N-dimethyl-5-(3-methyl-4-pyridinyl)-1H-pyrazole-1-propanamide

Guidance literature:: Multi-step reaction with 5 steps

1.1: pyridine; methanesulfonyl chloride / 0 °C

1.2: 1 h / 20 °C

2.1: diethyl ether / 20 °C / Inert atmosphere

2.2: Cooling with ice

3.1: sodium hydride / N,N-dimethyl-formamide / 0 - 20 °C

3.2: 20 °C

4.1: tert-butyl alcohol / 16 h / 150 °C

5.1: hydrogen; triethylamine / thiophene / tetrahydrofuran

With pyridine; hydrogen; sodium hydride; methanesulfonyl chloride; triethylamine; thiophene; In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide; tert-butyl alcohol;