3,4-Dichloro-1-(2-methylcyclohexyl)butan-1-one

Base Information

• Chemical Name: 3,4-Dichloro-1-(2-methylcyclohexyl)butan-1-one
• CAS No.: 88960-65-0
• Molecular Formula: C11H18Cl2O
• Molecular Weight: 237.169
• DSSTox Substance ID: DTXSID80525403

Synonyms:88960-65-0;3,4-Dichloro-1-(2-methylcyclohexyl)butan-1-one;DTXSID80525403

Chemical Property of 3,4-Dichloro-1-(2-methylcyclohexyl)butan-1-one

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 236.0734706
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCC1C(=O)CC(CCl)Cl

Technology Process of 3,4-Dichloro-1-(2-methylcyclohexyl)butan-1-one

There total 1 articles about 3,4-Dichloro-1-(2-methylcyclohexyl)butan-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:

2-Methyl-cyclohexane carboxylic acid chloride (90403-98-8) + 3-chloroprop-1-ene (107-05-1) → 3,4-Dichloro-1-(2-methyl-cyclohexyl)-butan-1-one (88960-65-0)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; at 20 ℃; for 1h;

DOI:10.1007/BF00472476

Reference yield: 62.0%

3,4-Dichloro-1-(2-methyl-cyclohexyl)-butan-1-one (88960-65-0) → (E)-4-Chloro-1-(2-methyl-cyclohexyl)-but-2-en-1-one

Guidance literature:

With sodium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 0.333333h;

DOI:10.1007/BF00529363

Reference yield: 52.0%

3,4-Dichloro-1-(2-methyl-cyclohexyl)-butan-1-one (88960-65-0) + glycine (56-40-6,18875-39-3,25718-94-9) → [2-(2-Methyl-cyclohexyl)-pyrrol-1-yl]-acetic acid (133527-47-6)

Guidance literature:

With sodium hydroxide; at 60 - 65 ℃; for 2h;

DOI:10.1007/BF00472476

upstream raw materials:

2-Methyl-cyclohexane carboxylic acid chloride

3-chloroprop-1-ene

Downstream raw materials:

2-[2-(2-Methyl-cyclohexyl)-pyrrol-1-yl]-ethanol

C₂₄H₃₆N₂

2-[2-(2-Methyl-cyclohexyl)-pyrrol-1-yl]-ethylamine

[2-(2-Methyl-cyclohexyl)-pyrrol-1-yl]-acetic acid

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