6-Methylcyclohexene-1-carbonyl chloride

Base Information

• Chemical Name: 6-Methylcyclohexene-1-carbonyl chloride
• CAS No.: 72622-71-0
• Molecular Formula: C8H11ClO
• Molecular Weight: 158.62500
• Hs Code.: 2916209090
• DSSTox Substance ID: DTXSID50451189
• Mol file: 72622-71-0.mol

Synonyms:72622-71-0;SCHEMBL8053349;DTXSID50451189;AG-G-86128

Chemical Property of 6-Methylcyclohexene-1-carbonyl chloride

Chemical Property:

• PSA: 17.07000
• LogP: 2.49820
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.0498427
• Heavy Atom Count: 10
• Complexity: 172

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC=C1C(=O)Cl

Technology Process of 6-Methylcyclohexene-1-carbonyl chloride

There total 5 articles about 6-Methylcyclohexene-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:

6-methyl-cyclohex-1-enecarbonitrile (4883-66-3) → 6-methyl-cyclohex-1-enecarbonyl chloride (72622-71-0,72233-49-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₃PO₄ / H₂O

2: SOCl₂

With thionyl chloride; phosphoric acid; In water;

DOI:10.1016/S0040-4039(97)00304-3

Reference yield:

2-Methylcyclohexanone (583-60-8) → 6-methyl-cyclohex-1-enecarbonyl chloride (72622-71-0,72233-49-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) H₂SO₄; 2.) POCl₃, pyridine

2: H₃PO₄ / H₂O

3: SOCl₂

With pyridine; thionyl chloride; phosphoric acid; sulfuric acid; trichlorophosphate; In water;

DOI:10.1016/S0040-4039(97)00304-3

Reference yield:

6-methylcyclohex-1-ene-1-carboxylic acid (5726-56-7) → 6-methyl-cyclohex-1-enecarbonyl chloride (72622-71-0,72233-49-9)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; for 2h; Heating;

DOI:10.1016/S0040-4039(00)96373-1

upstream raw materials:

6-methylcyclohex-1-ene-1-carboxylic acid

6-methyl-cyclohex-1-enecarbonitrile

2-methylcyclohexane cyanohydrin

2-Methylcyclohexanone

Downstream raw materials:

9-methyl-4-(phenylthio)cis-bicyclo<4.3.0>non-3-en-2-one

(1H-Indol-3-yl)-(6-methyl-cyclohex-1-enyl)-methanone