2-Bromo-1,3-diethylbenzene

Base Information

• Chemical Name: 2-Bromo-1,3-diethylbenzene
• CAS No.: 65232-57-7
• Molecular Formula: C10H13 Br
• Molecular Weight: 213.117
• Hs Code.: 2903999090
• European Community (EC) Number: 918-853-0,684-690-4
• DSSTox Substance ID: DTXSID70334864
• Nikkaji Number: J1.290.582C
• Wikidata: Q82100910
• ChEMBL ID: CHEMBL111762
• Mol file: 65232-57-7.mol

Synonyms:2-Bromo-1,3-diethylbenzene;65232-57-7;2,6-Diethylbromobenzene;1-Bromo-2,6-diethylbenzene;Benzene, 2-bromo-1,3-diethyl-;2,6-Diethyl bromobenzene;2-Bromo-1,3-diethyl-benzene;CHEMBL111762;MFCD00017770;2,6-Diethylphenylbromide;2,6-Diethylphenyl bromide;1,3-diethyl-2-bromobenzene;SCHEMBL62557;2-Bromo-1,3-diethylbenzene #;AMY2566;DTXSID70334864;BDBM50409543;AKOS015917672;BS-22844;SY106472;CS-0152559;FT-0611364;Y14718;A835030

Chemical Property of 2-Bromo-1,3-diethylbenzene

Chemical Property:

• Vapor Pressure: 0.0643mmHg at 25°C
• Refractive Index: 1.5430
• Boiling Point: 78-80°C 2mm
• Flash Point: 78-80°C/2mm
• PSA: 0.00000
• Density: 1,264 g/cm3
• LogP: 3.57390
• Water Solubility.: Insoluble in water.
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 212.02006
• Heavy Atom Count: 11
• Complexity: 99.4

Purity/Quality:

99% ^*data from raw suppliers

2,6-DIETHYLBROMOBENZENE Aldrich ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)Br
• Uses: 2-Bromo-1,3-diethylbenzene is used as raw material in synthetic organic chemistry.

Technology Process of 2-Bromo-1,3-diethylbenzene

There total 1 articles about 2-Bromo-1,3-diethylbenzene 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: 83.0%

2,6-diethylaniline (579-66-8) → 1,3-diethyl-2-bromobenzene (65232-57-7)

Guidance literature:

2,6-diethylaniline; With hydrogen bromide; In water; at 20 ℃; for 0.25h;

With sodium nitrite; In diethyl ether; water; at -55 - -18 ℃; for 2.25h;

Reference yield: 100.0%

vinyl sulfonamide (2386-58-5) + 1,3-diethyl-2-bromobenzene (65232-57-7) → (E)-2-(2,6-Diethyl-phenyl)-ethenesulfonic acid amide (405262-61-5)

Guidance literature:

With palladium diacetate; triethylamine; triphenylphosphine; In N,N-dimethyl-formamide; at 130 ℃; for 12h;

DOI:10.1248/cpb.49.1593

Reference yield: 96.0%

1,3-diethyl-2-bromobenzene (65232-57-7) + 2,6-dimethylaniline (87-62-7) → N-(2,6-diethylphenyl)-2,6-dimethylaniline (1361990-66-0)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3chloro-pyridyl)palladium(II) dichloride; caesium carbonate; In 1,2-dimethoxyethane; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1002/chem.201102428

upstream raw materials:

2,6-diethylaniline

Downstream raw materials:

2,6-diethylbenzoic acid

2,6-diethylbenzonitrile

1,3-diethyl<2-2H>benzene

2-Ethyl-1-(2,6-diethyl-phenyl)-cyclohexan-1-ol

Refernces

• 1、 -. "LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES". Page/Page column 178. . Retrieved 2015/02/25.