alpha,2-Dichloro-6-methyltoluene

Base Information

• Chemical Name: alpha,2-Dichloro-6-methyltoluene
• CAS No.: 55676-90-9
• Molecular Formula: C8H8Cl2
• Molecular Weight: 175.058
• DSSTox Substance ID: DTXSID401271569
• Mol file: 55676-90-9.mol

Synonyms:1-chloro-2-(chloromethyl)-3-methylbenzene;55676-90-9;alpha,2-dichloro-6-methyltoluene;SCHEMBL9861759;QBFRQIVHIHPAPQ-UHFFFAOYSA-N;DTXSID401271569;DA-29578;EN300-170811;G49597

Chemical Property of alpha,2-Dichloro-6-methyltoluene

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 174.0003056
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of alpha,2-Dichloro-6-methyltoluene

There total 4 articles about alpha,2-Dichloro-6-methyltoluene 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:

o-xylene (95-47-6) → 2,4-dimethylchlorobenzene (95-66-9) + 1-chloro-3,5-dimethylbenzene (556-97-8) + 2-chloro-1,4-dimethyl-benzene (95-72-7) + 2,6-dimethyl-1-chlorobenzene (6781-98-2) + 4-chloro-1,2-dimethylbenzene (615-60-1) + 3-chloro-o-xylene (608-23-1) + 1,2-dichloro-4,5-dimethyl-benzene (20824-80-0) + 1,2-dichloro-3,4-dimethyl-benzene (68266-67-1) + 2-methyl-5-chlorobenzyl chloride (34060-72-5) + 1,4-dichloro-2,3-dimethyl-benzene (52331-02-9) + 3,5-dichloro-o-xylene (70172-92-8) + 1-chloromethyl-2-methylbenzene (552-45-4) + alpha,2-dichloro-6-methyltoluene (55676-90-9)

Guidance literature:

With chlorine; the fluorine-containing K-L-type zeolite; In 1,2-dichloro-ethane; at 80 ℃; for 1.75 - 3.66667h; Product distribution / selectivity;

Reference yield:

(2-chloro-6-methylphenyl)methanol (77206-89-4) → alpha,2-dichloro-6-methyltoluene (55676-90-9)

Guidance literature:

With thionyl chloride; In benzene; Heating;

DOI:10.1021/jm00136a006

Reference yield:

2-chloro-6-methylbenzaldehyde (1194-64-5) → alpha,2-dichloro-6-methyltoluene (55676-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄ / methanol

2: SOCl₂ / benzene / Heating

With sodium tetrahydroborate; thionyl chloride; In methanol; benzene;

DOI:10.1021/jm00136a006

upstream raw materials:

(2-chloro-6-methylphenyl)methanol

2-chloro-6-methylbenzaldehyde

2-chloro-6-methylaniline

o-xylene

Downstream raw materials:

5-chloro-6,2',5'-trimethyl-diphenylmethane

2-benzyl-6-chlorotoluene

o-xylene

6-(2-chloro-6-methylphenyl)-2-methylpyrido[2,3-d]-pyrimidin-7-amine