1,3-Dibromo-2-ethylbenzene

Base Information

• Chemical Name: 1,3-Dibromo-2-ethylbenzene
• CAS No.: 41053-30-9
• Molecular Formula: C₈H₈Br₂
• Molecular Weight: 263.96
• European Community (EC) Number: 849-725-1
• Mol file: 41053-30-9.mol

Synonyms:1,3-dibromo-2-ethylbenzene;41053-30-9;1,3-Dibromo-2-ethyl-benzene;SCHEMBL1293277;FROIOESJRJZRFO-UHFFFAOYSA-N;MFCD22490781;AKOS024118877;AS-42724

Chemical Property of 1,3-Dibromo-2-ethylbenzene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 263.89723
• Heavy Atom Count: 10
• Complexity: 93.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1,3-Dibromo-2-ethylbenzene

There total 1 articles about 1,3-Dibromo-2-ethylbenzene 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: 79.9%

1,3-dibromobenzene (108-36-1) + ethyl iodide (75-03-6) → 1,3-dibromo-2-ethyl-benzene (41053-30-9)

Guidance literature:

In tetrahydrofuran; at -70 ℃; for 2h; Inert atmosphere;

Reference yield: 79.0%

1,3-dibromo-2-ethyl-benzene (41053-30-9) + benzyl bromide (100-39-0) → 1-benzylsulfanyl-3-bromo-2-ethylbenzene (1182728-08-0)

Guidance literature:

1,3-dibromo-2-ethyl-benzene; With n-butyllithium; sulfur; In tetrahydrofuran; n-heptane; at -78 ℃; for 0.75h; Inert atmosphere;

benzyl bromide; In tetrahydrofuran; n-heptane; at -78 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/jm4005835

Reference yield: 71.5%

1,3-dibromo-2-ethyl-benzene (41053-30-9) → 3-bromo-2-ethylphenol (1260022-84-1)

Guidance literature:

1,3-dibromo-2-ethyl-benzene; With 1-bromo-butane; iodine; magnesium; In 2-methyltetrahydrofuran; at 40 - 60 ℃; for 6h; Inert atmosphere;

at -25 ℃; for 10h; under 3750.38 Torr;

upstream raw materials:

1,3-dibromobenzene

ethyl iodide

Downstream raw materials:

1-benzylsulfanyl-3-bromo-2-ethylbenzene

2-(3-bromo-2-ethyl-phenyl)-pyridine

3-bromo-2-ethylbenzaldehyde

5-[5-(5-ethyl-3,4-dihydro-isoquinolin-6-yl)-thiazol-2-yl]-2-isopropoxybenzonitrile