1,4-Bis(2-bromoethyl)benzene

Base Information

• Chemical Name: 1,4-Bis(2-bromoethyl)benzene
• CAS No.: 4542-72-7
• Molecular Formula: C10H12Br2
• Molecular Weight: 292.013
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID40372758
• Nikkaji Number: J1.306.208K
• Wikidata: Q82160626
• Mol file: 4542-72-7.mol

Synonyms:1,4-bis(2-bromoethyl)benzene;4542-72-7;1,4-bis(bromoethyl)benzene;SCHEMBL2281085;DTXSID40372758;AKOS004904646;E87297;2-(4-(((3,5-Dimethylanilino)carbonyl)methyl)phenoxy)-2-methylpropionicacid

Chemical Property of 1,4-Bis(2-bromoethyl)benzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.56140
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 291.92853
• Heavy Atom Count: 12
• Complexity: 92.4

Purity/Quality:

98.5% ^*data from raw suppliers

1,4-Bis(2-bromoethyl)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCBr)CCBr

Technology Process of 1,4-Bis(2-bromoethyl)benzene

There total 4 articles about 1,4-Bis(2-bromoethyl)benzene 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: 97.0%

2-[4-(2-hydroxyethyl)phenyl]ethan-1-ol (5140-03-4) → 1,4-bis-(2-bromoethyl)benzene (4542-72-7)

Guidance literature:

With dibromotriphenylphosphorane; In dichloromethane; at 20 ℃; for 18h;

Reference yield:

(4-methoxycarbonylmethylphenyl)acetic acid methyl ester (36076-25-2) → 1,4-bis-(2-bromoethyl)benzene (4542-72-7)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran

2: carbon tetrabromide; triphenylphosphine

With lithium aluminium tetrahydride; carbon tetrabromide; triphenylphosphine; In tetrahydrofuran;

Reference yield:

diethyl 2,2'-(1,4-phenylene)diacetate (36076-26-3) → 1,4-bis-(2-bromoethyl)benzene (4542-72-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium; butanol-⁽¹⁾

2: glacial acetic acid; HBr / 100 °C

With hydrogen bromide; sodium; acetic acid; butan-1-ol;

DOI:10.1002/hlca.194102401108

upstream raw materials:

2-[4-(2-hydroxyethyl)phenyl]ethan-1-ol

diethyl 2,2'-(1,4-phenylene)diacetate

(4-methoxycarbonylmethylphenyl)acetic acid methyl ester

Downstream raw materials:

2,2'-(1,4-phenylene)diethyl diiodide

2,5-bis-(2-bromo-ethyl)-1,3-dinitro-benzene

2,5-dibromo-1,4-bis(2-bromoethyl)benzene

1,4-PBIT dihydrobromide

Refernces

• 1、 -. "SULFONIMIDAMIDE COMPOUNDS AS NLRP3 MODULATORS". Paragraph 1010. . Retrieved 2021/07/31.
• 2、 -. "SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY". Page/Page column 496-497. . Retrieved 2020/08/13.