4-Chloronicotinoyl chloride

Base Information

• Chemical Name: 4-Chloronicotinoyl chloride
• CAS No.: 100791-00-2
• Molecular Formula: C6H3 Cl2 N O
• Molecular Weight: 176.002
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10544682
• Nikkaji Number: J1.642.405F
• Wikidata: Q82421891
• Mol file: 100791-00-2.mol

Synonyms:4-Chloronicotinoyl chloride;100791-00-2;4-chloropyridine-3-carbonyl chloride;3-Pyridinecarbonyl chloride, 4-chloro- (9CI);3-Pyridinecarbonyl chloride, 4-chloro-;4-chloronicotinic acid chloride;SCHEMBL587010;DTXSID10544682;CSQKICWPCREIJP-UHFFFAOYSA-N;MFCD09864939;AKOS006313597;CS-0267904;EN300-250299

Chemical Property of 4-Chloronicotinoyl chloride

Chemical Property:

• PSA: 29.96000
• LogP: 2.11400
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.9591691
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

4-Chloronicotinoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1Cl)C(=O)Cl

Technology Process of 4-Chloronicotinoyl chloride

There total 1 articles about 4-Chloronicotinoyl chloride 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: 98.5%

4-chloronicotinic acid (10177-29-4) → 4-chloronicotinoyl chloride (100791-00-2)

Guidance literature:

With thionyl chloride; at 80 ℃; for 1.5h;

Reference yield: 91.0%

4-chloronicotinoyl chloride (100791-00-2) + (S)-2-(azidodiphenylmethyl)pyrrolidine (1227182-01-5) → (S)-(2-(azidodiphenylmethyl)pyrrolidin-1-yl)(4-chloropyridin-3-yl)methanone

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 16.16h; Inert atmosphere;

DOI:10.1055/s-0033-1339286

Reference yield: 86.0%

4-chloronicotinoyl chloride (100791-00-2) + C15H20N4S → C21H22ClN5OS

Guidance literature:

With triethylamine; In dichloromethane; at 10 - 20 ℃; for 10h;

upstream raw materials:

4-chloronicotinic acid

Downstream raw materials:

1-phenylpyrazolo[4',3':5,6]pyrano[3,2-c]pyridin-4(1H)-one

3-methyl-1-phenylpyrazolo[4',3':5,6]pyrano[3,2-c]pyridin-4(1H)-one

4-chloro-4'-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]-nicotinanilide

ethyl 4-phenoxynicotinate