3-Cyclohexene-1-carbonyl chloride

Base Information

• Chemical Name: 3-Cyclohexene-1-carbonyl chloride
• CAS No.: 932-67-2
• Deprecated CAS: 84094-95-1
• Molecular Formula: C7H9ClO
• Molecular Weight: 144.601
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID40883617
• Nikkaji Number: J2.946.397B
• Mol file: 932-67-2.mol

Synonyms:932-67-2;3-Cyclohexene-1-carbonyl chloride;3-Cyclohexenecarbonyl chloride;cyclohex-3-ene-1-carbonyl chloride;cyclohex-3-enecarbonyl chloride;3-Cyclohexenecarbonylchloride;3-Cyclohexene-1-carbonylchloride;SCHEMBL468408;3-cyclohexene carbonyl chloride;DTXSID40883617;1-cyclohex-3-enecarbonyl chloride;3-Cyclohexene-1-carbonyl chloride #;3-cyclohexenecarboxylic acid chloride;MFCD00013780;3-cyclohexene carboxylic acid chloride;AKOS006222467;FF-0009;3-cyclohexene-1-carboxylic acid chloride;FT-0600331;3-Cyclohexene-1-carbonyl chloride, AldrichCPR;A844493

Chemical Property of 3-Cyclohexene-1-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.969mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 178.9 °C at 760 mmHg
• Flash Point: 80.4 °C
• PSA: 17.07000
• Density: 1.148 g/cm³
• LogP: 2.10810
• Sensitive.: Moisture Sensitive
• Water Solubility.: Soluble in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 144.0341926
• Heavy Atom Count: 9
• Complexity: 140

Purity/Quality:

98%Min ^*data from raw suppliers

Cyclohex-3-ene-1-carbonyl chloride ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC=C1)C(=O)Cl

Technology Process of 3-Cyclohexene-1-carbonyl chloride

There total 5 articles about 3-Cyclohexene-1-carbonyl 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: 88.0%

Cyclohexanecarboxylic acid (98-89-5) → cyclohex-3-enecarbonyl chloride (932-67-2)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield: 87.0%

1,2,5,6-tetrahydrobenzoic acid (4771-80-6) → cyclohex-3-enecarbonyl chloride (932-67-2)

Guidance literature:

With thionyl chloride; Ambient temperature;

DOI:10.1002/jhet.5570270652

Reference yield:

oxalyl dichloride (79-37-8) + cyclohexene-1-carboxylic acid (636-82-8) → cyclohex-3-enecarbonyl chloride (932-67-2)

Guidance literature:

upstream raw materials:

1,2,5,6-tetrahydrobenzoic acid

3-Cyclohexene-1-carboxaldehyde

Cyclohexanecarboxylic acid

oxalyl dichloride

Downstream raw materials:

cyclohex-3-enecarboxylic acid N-hydroxy-N-methyl amide

4-chlorocyclohexene

N-<(Trifluoroacetyl)amino>cyclohex-3-ene

ethyl (1R*,3S*,4S*)-3-azido-4-hydroxycyclohexane-1-carboxylate

Refernces

• 1、 Gaudreault, Philippe,Drouin, Christian,Lessard, Jean. "First examples of intramolecular addition of primary amidyl radicals to olefins". . p. 543 - 545. Retrieved 2007/10/03.
• 2、 Lin, Xichen,Artman III, Gerald D.,Stien, Didier,Weinreb, Steven M.. "Development of efficient new methodology for generation, cyclization and functional trapping of iminyl and amidyl radicals". . p. 8779 - 8791. Retrieved 2007/10/03.