1-Fluoro-cyclopropane-1-carboxylic acid chloride

Base Information

• Chemical Name: 1-Fluoro-cyclopropane-1-carboxylic acid chloride
• CAS No.: 149961-53-5
• Molecular Formula: C₄H₄ClFO
• Molecular Weight: 122.527
• European Community (EC) Number: 871-624-6
• DSSTox Substance ID: DTXSID101288579

Synonyms:149961-53-5;1-fluorocyclopropanecarbonyl chloride;1-fluorocyclopropane-1-carbonyl chloride;1-fluoro-cyclopropane-1-carboxylic acid chloride;SCHEMBL231971;NAZWNRKGZDYAFJ-UHFFFAOYSA-N;DTXSID101288579;Cyclopropanecarbonyl chloride, 1-fluoro-;EN300-7526076;A900864

Chemical Property of 1-Fluoro-cyclopropane-1-carboxylic acid chloride

Chemical Property:

• Boiling Point: 91.2±23.0 °C(Predicted)
• Density: 1.35±0.1 g/cm3(Predicted)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.9934706
• Heavy Atom Count: 7
• Complexity: 108

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC1(C(=O)Cl)F

Technology Process of 1-Fluoro-cyclopropane-1-carboxylic acid chloride

There total 1 articles about 1-Fluoro-cyclopropane-1-carboxylic acid 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:

1-fluoro-cyclopropane-1-carboxylic acid (137081-41-5) → 1-fluorocyclopropane-1-carbonyl chloride (149961-53-5)

Guidance literature:

With thionyl chloride; In N-methyl-acetamide;

Reference yield: 89.0%

1-fluorocyclopropane-1-carbonyl chloride (149961-53-5) + (7R)-2-amino-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile hydrochloride → N-{(7R)-6-Cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]-triazolo[1,5-a]pyrimidin-2-yl}-1-fluorocyclopropanecarboxamide (1234619-43-2)

Guidance literature:

With pyridine; In tetrahydrofuran; at 20 ℃; for 12h; Inert atmosphere;

Reference yield: 86.0%

1-fluorocyclopropane-1-carbonyl chloride (149961-53-5) + 2-amino-5-bromobenzonitrile (39263-32-6) → 1-fluorocyclopropanecarboxylic acid (4-bromo-2-cyanophenyl)amide

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b00340

upstream raw materials:

1-fluoro-cyclopropane-1-carboxylic acid

Downstream raw materials:

N-{(7R)-6-Cyano-7-(4-cyanophenyl)-5-methyl-4-[3-(trifluoromethyl)phenyl]-4,7-dihydro[1,2,4]-triazolo[1,5-a]pyrimidin-2-yl}-1-fluorocyclopropanecarboxamide

p-phenylpyridine

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