2-(4-Bromobutyl)cyclohexan-1-one

Base Information

• Chemical Name: 2-(4-Bromobutyl)cyclohexan-1-one
• CAS No.: 51953-08-3
• Molecular Formula: C10H17BrO
• Molecular Weight: 233.148
• DSSTox Substance ID: DTXSID20504898
• Mol file: 51953-08-3.mol

Synonyms:2-(4-BROMOBUTYL)CYCLOHEXAN-1-ONE;51953-08-3;DTXSID20504898

Chemical Property of 2-(4-Bromobutyl)cyclohexan-1-one

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 232.04628
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Bromobutyl)cyclohexan-1-one

There total 6 articles about 2-(4-Bromobutyl)cyclohexan-1-one 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: 5.0%

trans-decal-9-ol (1654-87-1) → 2-(4-bromo-butyl)-cyclohexanone (51953-08-3) + 6-bromocyclododecanone (87307-15-1)

Guidance literature:

With bromine; mercury(II) oxide; In benzene; for 1h; Heating;

DOI:10.1021/jo00172a051

Reference yield:

1-(4-bromo-butyl)-2-oxo-cyclohexanecarboxylic acid ethyl ester (62547-82-4) → 2-(4-bromo-butyl)-cyclohexanone (51953-08-3)

Guidance literature:

With hydrogen bromide; In propionic acid;

DOI:10.1002/hlca.19770600110

Reference yield:

ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 2-(4-bromo-butyl)-cyclohexanone (51953-08-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) K, toluene, (ii) /BRN= 1071199/

2: aq. HBr / propionic acid

With hydrogen bromide; In propionic acid;

DOI:10.1002/hlca.19770600110

upstream raw materials:

1-(4-bromo-butyl)-2-oxo-cyclohexanecarboxylic acid ethyl ester

trans-decal-9-ol

cis-9-decalol

1,4-dibromo-butane

Downstream raw materials:

spiro[4.5]decan-6-one

4-(2-Oxocyclohexyl)butyl-triphenylphosphoniumbromid

2-<4-(ethylthio)butyl>cyclohexanone

2-butylcyclohexanone