Benzene, 2-(bromomethyl)-1,3,4-trimethyl-

Base Information

• Chemical Name: Benzene, 2-(bromomethyl)-1,3,4-trimethyl-
• CAS No.: 54757-29-8
• Molecular Formula: C10H13Br
• Molecular Weight: 213.117
• DSSTox Substance ID: DTXSID40473779
• Nikkaji Number: J606.098F
• Wikidata: Q82303401
• Mol file: 54757-29-8.mol

Synonyms:54757-29-8;Benzene, 2-(bromomethyl)-1,3,4-trimethyl-;SCHEMBL10752183;DTXSID40473779

Chemical Property of Benzene, 2-(bromomethyl)-1,3,4-trimethyl-

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 212.02006
• Heavy Atom Count: 11
• Complexity: 122

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)C)CBr)C

Technology Process of Benzene, 2-(bromomethyl)-1,3,4-trimethyl-

There total 5 articles about Benzene, 2-(bromomethyl)-1,3,4-trimethyl- 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%

(2,5,6-trimethylbenzyl)bis(dimethylglyoximato)pyridinecobalt(III) (77743-10-3) + Bromotrichloromethane (75-62-7) → bromo Co(III)(dmgH)2py + hexachloroethane (67-72-1) + 2-(Bromomethyl)-1,3,4-trimethylbenzene (54757-29-8) + 1,2,4-Trimethyl-3-(2,2,2-trichloro-ethyl)-benzene

Guidance literature:

In chloroform; Excess of CHCl3, 50°C for 5 h;; detected by NMR spectra and GLC;;

DOI:10.1016/S0022-328X(00)83473-7

Reference yield:

1,2,3,4-Tetramethylbenzene (488-23-3) → 2-(Bromomethyl)-1,3,4-trimethylbenzene (54757-29-8)

Guidance literature:

With bromine; at 140 ℃; im Sonnenlicht;

DOI:10.1021/ja01270a044

Reference yield:

1,2,3,4-Tetramethylbenzene (488-23-3) → 2-(Bromomethyl)-1,3,4-trimethylbenzene (54757-29-8) + 1-(Bromomethyl)-2,3,4-trimethylbenzene (158549-30-5)

Guidance literature:

With N-Bromosuccinimide; Yield given. Yields of byproduct given;

upstream raw materials:

1,2,3,4-Tetramethylbenzene

bromine

Bromotrichloromethane

(2,5,6-trimethylbenzyl)bis(dimethylglyoximato)pyridinecobalt(III)

Downstream raw materials:

(2,3,6-trimethyl-benzyl)-malonic acid diethyl ester

acetic acid-(2,3,6-trimethyl-benzyl ester)

4-(2,3,6-trimethyl-phenyl)-butan-2-one

(bicyclo<2.2.1>heptene-5 yle-2)-1 (trimethyl-2,3,6 phenyl)-3 propanone-1