2-Bromo-1-ethyl-3-methylbenzene

Base Information

• Chemical Name: 2-Bromo-1-ethyl-3-methylbenzene
• CAS No.: 65232-55-5
• Molecular Formula: C9H11Br
• Molecular Weight: 199.09
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID70595615
• Nikkaji Number: J1.290.581E
• Wikidata: Q82490674
• Mol file: 65232-55-5.mol

Synonyms:2-Bromo-1-ethyl-3-methylbenzene;65232-55-5;Benzene, 2-bromo-1-ethyl-3-methyl-;1-bromo-2-ethyl-6-methylbenzene;2-ethyl-6-methyl-bromobenzene;2-Bromo-3-ethyltoluene;SCHEMBL3158096;DTXSID70595615;KOJNEAZHYRZOPM-UHFFFAOYSA-N;MFCD09999843;AKOS006345549;WS-02144;DB-314032;CS-0326728;D85933

Chemical Property of 2-Bromo-1-ethyl-3-methylbenzene

Chemical Property:

• Boiling Point: 221.3±9.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.286±0.06 g/cm3(Predicted)
• LogP: 3.31990
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 198.00441
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

98.5% ^*data from raw suppliers

2-Bromo-3-ethyltoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC(=C1Br)C

Technology Process of 2-Bromo-1-ethyl-3-methylbenzene

There total 1 articles about 2-Bromo-1-ethyl-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:

6-ethyl-o-toluidine (24549-06-2) → 2-ethyl-6-methyl-bromobenzene (65232-55-5)

Guidance literature:

With hydrogen bromide; copper(I) bromide; sodium nitrite; In water; at 5 - 40 ℃; for 1.5h;

Reference yield: 60.0%

(S,S)-1,2-diphenyl-1,2-diaminoethane (29841-69-8) + 2-ethyl-6-methyl-bromobenzene (65232-55-5) → C23H26N2 (1451929-24-0)

Guidance literature:

With 2-dicyclohexylphosphino-2′,6′-dimethoxybiphenyl; palladium diacetate; sodium butanolate; In toluene; at 110 ℃; for 48h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201202318

Reference yield:

2-ethyl-6-methyl-bromobenzene (65232-55-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-ethyl-6-methylbenzaldehyde (106976-44-7)

Guidance literature:

2-ethyl-6-methyl-bromobenzene; With magnesium; iodine; In tetrahydrofuran; at 25 - 40 ℃; for 1.66667h;

N,N-dimethyl-formamide; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

upstream raw materials:

6-ethyl-o-toluidine

Downstream raw materials:

2-ethyl-6-methylbenzoic acid

Bis-(2-ethyl-6-methyl-phenyl)-methanol

2-ethyl-6-methylbenzaldehyde

2-ethyl-6-methyl(hydroxymethyl)benzene