1-Bromo-2-(4-bromobutoxy)benzene

Base Information

• Chemical Name: 1-Bromo-2-(4-bromobutoxy)benzene
• CAS No.: 105212-11-1
• Molecular Formula: C10H12 Br2 O
• Molecular Weight: 308.013
• Hs Code.: 29093038
• DSSTox Substance ID: DTXSID70370580
• Wikidata: Q82157712
• Mol file: 105212-11-1.mol

Synonyms:1-bromo-2-(4-bromobutoxy)benzene;105212-11-1;1-(4-BROMOBUTOXY)-2-BROMOBENZENE;2-Bromophenoxybutyl bromide;4-(2-BROMOPHENOXY)BROMOBUTANE;SCHEMBL10367492;DTXSID70370580;CS-0335525;F50545

Chemical Property of 1-Bromo-2-(4-bromobutoxy)benzene

Chemical Property:

• Vapor Pressure: 0.000215mmHg at 25°C
• Refractive Index: 1.5705-1.5725
• Boiling Point: 336.7°Cat760mmHg
• Flash Point: 136.8°C
• PSA: 9.23000
• Density: 1.601g/cm³
• LogP: 4.00300
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 307.92344
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

98%min ^*data from raw suppliers

1-Bromo-2-(4-bromobutoxy)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-20/22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-2-(4-bromobutoxy)benzene

There total 2 articles about 1-Bromo-2-(4-bromobutoxy)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: 81.0%

1,4-dibromo-butane (110-52-1) + 2-hydroxybromobenzene (95-56-7) → 1-bromo-2-(4-bromobutoxy)benzene (105212-11-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 18h;

DOI:10.1002/chem.200601724

Reference yield: 52.3%

4-Bromo-1-butanol (33036-62-3) + 2-hydroxybromobenzene (95-56-7) → 1-bromo-2-(4-bromobutoxy)benzene (105212-11-1)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

Reference yield: 76.0%

1-bromo-2-(4-bromobutoxy)benzene (105212-11-1) + 2-mesitylmagnesium bromide (2633-66-1) → C19H23BrO

Guidance literature:

With trans-dichloro-di[1,2-bis(diethylphosphino)ethane]-iron(II); In tetrahydrofuran; at 70 ℃; for 1.5h; Inert atmosphere;

DOI:10.1002/adsc.201301089

upstream raw materials:

1,4-dibromo-butane

2-hydroxybromobenzene

4-Bromo-1-butanol

Downstream raw materials:

C₁₁H₁₆BrNO