2-Bromo-1,3,5-triethylbenzene

Base Information

• Chemical Name: 2-Bromo-1,3,5-triethylbenzene
• CAS No.: 91-06-5
• Molecular Formula: C12H17Br
• Molecular Weight: 241.171
• European Community (EC) Number: 202-038-5
• DSSTox Substance ID: DTXSID7059018
• Nikkaji Number: J182.076A
• Wikidata: Q72510664
• Mol file: 91-06-5.mol

Synonyms:2-Bromo-1,3,5-triethylbenzene;91-06-5;1-Bromo-2,4,6-triethylbenzene;Benzene, 2-bromo-1,3,5-triethyl-;AI3-07034;1,3,5-Triethyl-2-bromobenzene;EINECS 202-038-5;C12H17Br;Benzene,2-bromo-1,3,5-triethyl-;1,3,5-triethylbromobenzene;SCHEMBL456782;2-brom-1,3,5-triethylbenzen;C12-H17-Br;DTXSID7059018;MFCD00045018;AKOS017550628;FT-0631435;A905077

Chemical Property of 2-Bromo-1,3,5-triethylbenzene

Chemical Property:

• Vapor Pressure: 0.00809mmHg at 25°C
• Refractive Index: 1.5366 (589.3 nm 20℃)
• Boiling Point: 276.4 °C at 760 mmHg
• Flash Point: 117.9 °C
• PSA: 0.00000
• Density: 1.181 g/cm³
• LogP: 4.13630
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 240.05136
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

98%min ^*data from raw suppliers

1-BROMO-2 4 6-TRIETHYLBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C(=C1)CC)Br)CC

Technology Process of 2-Bromo-1,3,5-triethylbenzene

There total 3 articles about 2-Bromo-1,3,5-triethylbenzene 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: 92.0%

1,3,5-triethylbenzene (102-25-0) → 2-bromo-1,3,5-triethylbenzene (91-06-5)

Guidance literature:

With bromine; iron; In tetrachloromethane;

DOI:10.1039/b200358a

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-bromo-1,3,5-triethylbenzene (91-06-5)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: tetrachloromethane; bromine / 0 °C / Lichtausschluss

With tetrachloromethane; aluminium trichloride; bromine;

Reference yield:

→ 2-bromo-1,3,5-triethylbenzene (91-06-5)

Guidance literature:

upstream raw materials:

1,3,5-triethylbenzene

benzene

Downstream raw materials:

1-(2,4,6-triethyl-3-bromo-phenyl)-ethanone

N,N-diisopropyl-2,4,6-triethylbenzamide

1,3,5-Tribromo-2,4,6-triethylbenzene

2,4,6-triethylphenyllithium

Refernces

• 1、 Ni, Shengjun,El Remaily, Mahmoud Abd El Aleem Ali Ali,Franzén, Johan. "Carbocation Catalyzed Bromination of Alkyl Arenes, a Chemoselective sp3 vs. sp2 C?H functionalization.". supporting information. p. 4197 - 4204. Retrieved 2018/09/25.
• 2、 Clayden, Jonathan,Pink, Jennifer H.,Westlund, Neil,Frampton, Christopher S.. "Atroposelectivity in the electrophilic substitution reactions of laterally lithiated and silylated tertiary amides". . p. 901 - 917. Retrieved 2007/10/03.