Cyclohexylpropionyl chloride

Base Information

• Chemical Name: Cyclohexylpropionyl chloride
• CAS No.: 39098-75-4
• Molecular Formula: C9H15ClO
• Molecular Weight: 174.671
• Hs Code.: 29162090
• European Community (EC) Number: 254-289-5
• UNII: KM2A8T7JT2
• DSSTox Substance ID: DTXSID30192341
• Nikkaji Number: J261.307G
• Wikidata: Q72460132
• Mol file: 39098-75-4.mol

Synonyms:3-Cyclohexylpropionyl chloride;39098-75-4;3-cyclohexylpropanoyl Chloride;Cyclohexylpropionyl chloride;Cyclohexanepropanoyl chloride;3-CYCLOHEXANEPROPIONYLCHLORIDE;3-CYCLOHEXANEPROPIONYL CHLORIDE;KM2A8T7JT2;EINECS 254-289-5;UNII-KM2A8T7JT2;3-cyclohexylpropanyl chloride;3-Cyclohexylpropionic chloride;SCHEMBL209174;3-cyclohexyl-propionyl chloride;DTXSID30192341;JUADTOTVJUYCRQ-UHFFFAOYSA-N;3-Cyclohexylpropionic acid chloride;STR07066;3-cyclohexyl propionic acid chloride;MFCD00066249;AKOS009218302;3-cyclohexylpropionyl chloride, AldrichCPR;FT-0615571;EN300-64834

Chemical Property of Cyclohexylpropionyl chloride

Chemical Property:

• Appearance/Colour: clear slightly yellow liquid
• Vapor Pressure: 0.103mmHg at 25°C
• Refractive Index: 1.469-1.472
• Boiling Point: 228.9 °C at 760 mmHg
• Flash Point: 95.9 °C
• PSA: 17.07000
• Density: 1.033 g/cm³
• LogP: 3.11230
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 174.0811428
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

98% ^*data from raw suppliers

3-Cyclohexylpropanoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 34-51-36-22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CCC(=O)Cl

Technology Process of Cyclohexylpropionyl chloride

There total 9 articles about Cyclohexylpropionyl 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: 100.0%

cyclohexanepropionic acid (701-97-3) → 3-cyclohexylpropionyl chloride (39098-75-4)

Guidance literature:

With thionyl chloride; In toluene; Heating;

DOI:10.1016/j.ejmech.2005.02.011

Reference yield:

3-cyclohexylpropan-1-ol (1124-63-6) → 3-cyclohexylpropionyl chloride (39098-75-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / Jones reagent / acetone / Ambient temperature

2: oxalyl chloride / 2 h / Heating

With jones reagent; oxalyl dichloride; In acetone;

DOI:10.1021/ja00046a010

Reference yield:

cyclohexylethan-1-ol (4442-79-9) → 3-cyclohexylpropionyl chloride (39098-75-4)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) TsCl, Py, (ii) /BRN= 3587243/

2: KOH / ethanol / Heating

3: SOCl₂

With potassium hydroxide; thionyl chloride; In ethanol;

upstream raw materials:

cyclohexanepropionic acid

3-Phenylpropionic acid

3-cyclohexylpropan-1-ol

vinylcyclohexane

Downstream raw materials:

3-cyclohexyl-1-(thiophen-2-yl)propan-1-one

3-cyclohexyl-propionic acid-[3-(2,5-dimethyl-pyrrol-1-yl)-propyl ester]

(Z)-4-(2-cyclohexylethylidene)-3-cyclohexylmethyl-oxetan-2-one

3-cyclohexyl-propionic acid m-toluidide