1-(2-Chloropropan-2-yl)-3-methylbenzene

Base Information

• Chemical Name: 1-(2-Chloropropan-2-yl)-3-methylbenzene
• CAS No.: 13240-60-3
• Molecular Formula: C10H13Cl
• Molecular Weight: 168.666
• DSSTox Substance ID: DTXSID30504445
• Nikkaji Number: J1.109.629H
• Wikidata: Q82358949
• Mol file: 13240-60-3.mol

Synonyms:1-(2-Chloropropan-2-yl)-3-methylbenzene;13240-60-3;SCHEMBL11662449;DTXSID30504445;2-(3'-meth-ylphenyl)-2-chloropropane

Chemical Property of 1-(2-Chloropropan-2-yl)-3-methylbenzene

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 168.0705781
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(C)(C)Cl

Technology Process of 1-(2-Chloropropan-2-yl)-3-methylbenzene

There total 6 articles about 1-(2-Chloropropan-2-yl)-3-methylbenzene 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: 78.0%

3,7,7-trimethyl-cyclohepta-1,3,5-triene (3479-89-8) → 3-(2-Chloro-2-propyl)toluene (13240-60-3)

Guidance literature:

With tellurium tetrachloride; In tetrachloromethane; at 0 - 5 ℃; for 2h; Further byproducts given;

DOI:10.1021/jo00161a027

Reference yield:

8-hydroxy-m-cymene (5208-37-7) → 3-(2-Chloro-2-propyl)toluene (13240-60-3)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01565a035

Reference yield:

m-tolylmagnesium bromide (28987-79-3) → 3-(2-Chloro-2-propyl)toluene (13240-60-3)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: hydrogen chloride

With hydrogenchloride; diethyl ether;

DOI:10.1021/ja01565a035

upstream raw materials:

8-hydroxy-m-cymene

3,7,7-trimethyl-cyclohepta-1,3,5-triene

2-(3-methylphenyl)propene

acetone

Downstream raw materials:

m-t-butyltoluene

p-toluidine hydrochloride

p-chloroaniline hydrochloride

p-anisidine hydrochloride