2-(Bromomethyl)-1,3,5-trimethylbenzene

Base Information

• Chemical Name: 2-(Bromomethyl)-1,3,5-trimethylbenzene
• CAS No.: 4761-00-6
• Molecular Formula: C10H13Br
• Molecular Weight: 213.117
• Hs Code.: 2903999090
• European Community (EC) Number: 807-472-4
• NSC Number: 31898
• DSSTox Substance ID: DTXSID90283507
• Nikkaji Number: J524.777B
• Wikidata: Q82018092
• Mol file: 4761-00-6.mol

Synonyms:2-(bromomethyl)-1,3,5-trimethylbenzene;4761-00-6;2,4,6-trimethylbenzyl bromide;2-Bromomethyl-1,3,5-trimethylbenzene;Benzene, 2-(bromomethyl)-1,3,5-trimethyl-;MFCD09056829;bromomethylmesitylene;NSC31898;2,4,6-Trimethylbenzylbromide;SCHEMBL585059;2,4,6-(Trimethyl)benzylbromide;DTXSID90283507;BBL100376;NSC-31898;STL554170;AKOS005257915;DS-6758;s10850;2-(bromomethyl)-1,3,5-trimethyl-benzene;EN300-55906;A872112

Chemical Property of 2-(Bromomethyl)-1,3,5-trimethylbenzene

Chemical Property:

• Vapor Pressure: 0.0242mmHg at 25°C
• Melting Point: 50-51 °C
• Refractive Index: 1.549
• Boiling Point: 256.9 °C at 760 mmHg
• Flash Point: 113.2 °C
• PSA: 0.00000
• Density: 1.27 g/cm³
• LogP: 3.50670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 212.02006
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

2-(Bromomethyl)-1,3,5-trimethylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)CBr)C
• Uses: 2-(Bromomethyl)-1,3,5-trimethylbenzene is a useful reactant for organic reactions and synthesis.

Technology Process of 2-(Bromomethyl)-1,3,5-trimethylbenzene

There total 8 articles about 2-(Bromomethyl)-1,3,5-trimethylbenzene 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: 94.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,3,5-trimethyl-benzene (108-67-8) → 2,4,6-trimethylbenzylbromide (4761-00-6)

Guidance literature:

With hydrogen bromide; acetic acid; at 40 - 50 ℃; for 2h;

DOI:10.1021/jo00057a046

Reference yield: 93.0%

2,4,6-trimethylbenzyl alcohol (4170-90-5) → 2,4,6-trimethylbenzylbromide (4761-00-6)

Guidance literature:

With Oxalyl bromide; In dichloromethane; at 20 ℃; Reflux;

DOI:10.3762/bjoc.10.143

Reference yield: 85.0%

1,3,5-Trioxan (110-88-3) + 1,3,5-trimethyl-benzene (108-67-8) → 2,4,6-trimethylbenzylbromide (4761-00-6)

Guidance literature:

With hydrogen bromide; cetyltrimethylammonium bromide; In water; at 80 - 90 ℃; for 8h;

DOI:10.1021/jo990721k

upstream raw materials:

2,4,6-trimethylbenzyl alcohol

bis-(2,4,6-trimethyl-benzyl)-ether

bromethyl methyl ether

1,3,5-trimethyl-benzene

Downstream raw materials:

N-(2,4,6-trimethylbenzyl)acridan

2,4,6-trimethylbenzyl alcohol

mesytaldehyde

1,2-dimesitylethane

Refernces

• 1、 Asha, R. Nandini,Bhuvanesh, N.,Daisy, Caroline,Kumar, G. S. Suresh,Nayagam, B. Ravindran Durai,Vadivel, E.. "Experimental and theoretical studies of 2-Mercaptobenzothiazole with 2-Bromomethylmesitylene and 1,4-Bis(bromomethyl)durene". . . Retrieved 2020/07/21.
• 2、 Chen, Si-Kai,Ma, Wen-Qiang,Yan, Zhi-Bo,Zhang, Fu-Min,Wang, Shao-Hua,Tu, Yong-Qiang,Zhang, Xiao-Ming,Tian, Jin-Miao. "Organo-Cation Catalyzed Asymmetric Homo/Heterodialkylation of Bisoxindoles: Construction of Vicinal All-Carbon Quaternary Stereocenters and Total Synthesis of (-)-Chimonanthidine". supporting information. p. 10099 - 10103. Retrieved 2018/08/23.