4-Chloro-2,6-dimethyl-nicotinic acid

Base Information

• Chemical Name: 4-Chloro-2,6-dimethyl-nicotinic acid
• CAS No.: 56022-09-4
• Molecular Formula: C₈H₈ClNO₂
• Molecular Weight: 185.61
• Hs Code.: 29333990
• DSSTox Substance ID: DTXSID20412404
• Wikidata: Q82219744
• Mol file: 56022-09-4.mol

Synonyms:4-Chloro-2,6-dimethyl-nicotinic acid;56022-09-4;4-chloro-2,6-dimethylpyridine-3-carboxylic acid;4-Chloro-2,6-dimethylnicotinic acid;4-Chloro-2,6-dimethyl-nicotinic acid ,97%;4-chloro-2,6-dimethyl-pyridine-3-carboxylic Acid;SCHEMBL900419;DTXSID20412404;TVZVZAZYZPHYPA-UHFFFAOYSA-N;4-Chloro-2,6-dimethylnicotinicacid;AKOS004114751;CS-0206930;4-Chloro-2,6-dimethyl-nicotinic acid dihydrate;F81419;4-chloro-2,6-dimethyl-nicotinic acid, AldrichCPR

Chemical Property of 4-Chloro-2,6-dimethyl-nicotinic acid

Chemical Property:

• PSA: 50.19000
• LogP: 2.05000
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99.90% ^*data from raw suppliers

4-Chloro-2,6-dimethyl-nicotinicacid 97% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=N1)C)C(=O)O)Cl

Technology Process of 4-Chloro-2,6-dimethyl-nicotinic acid

There total 2 articles about 4-Chloro-2,6-dimethyl-nicotinic 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:

ethyl 4-chloro-2,6-dimethylnicotinate (70271-80-6) → 2,6-dimethyl-4-chloronicotinoic acid (56022-09-4)

Guidance literature:

With sodium hydroxide;

Reference yield:

→ 2,6-dimethyl-4-chloronicotinoic acid (56022-09-4)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 160 ℃;

Reference yield: 80.5%

2,6-dimethyl-4-chloronicotinoic acid (56022-09-4) → 2,6-dimethyl-4-chloronicotinoyl chloride (89662-90-8)

Guidance literature:

With thionyl chloride; Heating;

upstream raw materials:

ethyl 4-chloro-2,6-dimethylnicotinate

Downstream raw materials:

2,6-dimethyl-4-chloronicotinoyl chloride

5,7-Dimethyl-2-phenylamino-pyrido[3,4-e][1,3]thiazin-4-one

2-Benzylamino-5,7-dimethyl-pyrido[3,4-e][1,3]thiazin-4-one

5,7-Dimethyl-2-p-tolylamino-pyrido[3,4-e][1,3]thiazin-4-one

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