2-(3-Bromopropyl)cyclohexanone

Base Information

• Chemical Name: 2-(3-Bromopropyl)cyclohexanone
• CAS No.: 10468-37-8
• Molecular Formula: C9H15 Br O
• Molecular Weight: 219.121
• NSC Number: 147466
• DSSTox Substance ID: DTXSID001306114
• Nikkaji Number: J339.209K
• Mol file: 10468-37-8.mol

Synonyms:2-(3-bromopropyl)cyclohexanone;10468-37-8;NSC147466;2-(3-bromopropyl)-cyclohexanone;DTXSID001306114;NSC-147466

Chemical Property of 2-(3-Bromopropyl)cyclohexanone

Chemical Property:

• Vapor Pressure: 0.0037mmHg at 25°C
• Boiling Point: 280.8°C at 760 mmHg
• Flash Point: 65.9°C
• PSA: 17.07000
• Density: 1.287g/cm³
• LogP: 2.92080
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 218.03063
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)CCCBr

Technology Process of 2-(3-Bromopropyl)cyclohexanone

There total 5 articles about 2-(3-Bromopropyl)cyclohexanone 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: 66.0%

2-allylcyclohexan-1-one (94-66-6) → 2-(3'-bromopropyl)cyklohexanone (10468-37-8)

Guidance literature:

With Perbenzoic acid; hydrogen bromide; In pentane; Irradiation;

DOI:10.1021/jo00148a025

Reference yield:

1-(3-bromo-propyl)-2-oxo-cyclohexanecarboxylic acid ethyl ester (62547-81-3) → 2-(3'-bromopropyl)cyklohexanone (10468-37-8)

Guidance literature:

With hydrogen bromide; In propionic acid;

DOI:10.1002/hlca.19770600110

Reference yield:

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 2-(3'-bromopropyl)cyklohexanone (10468-37-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) K, toluene, (ii) /BRN= 635662/

2: aq. HBr / propionic acid

With hydrogen bromide; In propionic acid;

DOI:10.1002/hlca.19770600110

upstream raw materials:

1-(3-bromo-propyl)-2-oxo-cyclohexanecarboxylic acid ethyl ester

2-allylcyclohexan-1-one

ethyl 2-oxocyclohexane carboxylate

1,3-dibromo-propane

Downstream raw materials:

bicyclo[3.3.1]nonan-9-one

2-(n-propyl)cyclohexanone

(1α,6α)-Bicyclo<4.3.0>nonan-1-ol

3-(2'-Methylencyclohexyl)propylbromid