(4-Bromobutoxy)benzene

Base Information

• Chemical Name: (4-Bromobutoxy)benzene
• CAS No.: 1200-03-9
• Molecular Formula: C10H13BrO
• Molecular Weight: 229.117
• Hs Code.: 29093038
• European Community (EC) Number: 214-849-1
• NSC Number: 17155
• UNII: Y5HC635AAU
• DSSTox Substance ID: DTXSID90152648
• Nikkaji Number: J217.042F
• Mol file: 1200-03-9.mol

Synonyms:(4-Bromobutoxy)benzene;1200-03-9;4-Phenoxybutyl bromide;4-Bromobutyl phenyl ether;4-bromobutoxybenzene;Benzene, (4-bromobutoxy)-;1-Bromo-4-phenoxybutane;Benzene, bromobutoxy-;Y5HC635AAU;EINECS 214-849-1;MFCD00000262;NSC-17155;Phenoxybutyl bromide;NSC17155;1-Brom-4-phenoxybutan;4-phenoxy-butyl bromide;4-phenoxy-1-bromobutane;4-phenoxy-1-butylbromide;(4-Bromo-butoxy)-benzene;Benzene,(4-bromobutoxy)-;UNII-Y5HC635AAU;Ether, 4-bromobutyl phenyl;SCHEMBL311427;DTXSID90152648;4-Bromobutyl phenyl ether, 97%;CS-B0148;NSC 17155;AKOS000343515;DS-8303;SY010804;FT-0607514;P1851;EN300-85792;C11349;J-004234;5-Pyrimidinecarboxylic acid, 2-amino-4-methyl-, ethyl ester

Chemical Property of (4-Bromobutoxy)benzene

Chemical Property:

• Appearance/Colour: Off-white crystalline mass
• Melting Point: 41-43 °C(lit.)
• Refractive Index: 1.5310 (estimate)
• Boiling Point: 282.323 °C at 760 mmHg
• Flash Point: 114.12 °C
• PSA: 9.23000
• Density: 1.301 g/cm³
• LogP: 3.24050
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 228.01498
• Heavy Atom Count: 12
• Complexity: 100

Purity/Quality:

98% ^*data from raw suppliers

1-Bromo-4- ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCCCBr
• Uses: (4-Bromobutoxy)benzene is used to produce 5-phenoxy-valeric acid with carbon dioxide and reagent Mg.

Technology Process of (4-Bromobutoxy)benzene

There total 11 articles about (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: 96.1%

1,4-dibromo-butane (110-52-1) + phenol (108-95-2,27073-41-2) → 4-bromophenyl butyl ether (1200-03-9)

Guidance literature:

With potassium carbonate; potassium iodide; at 20 - 80 ℃;

Reference yield: 88.0%

4-phenoxy-1-butene (2653-89-6) → 4-bromophenyl butyl ether (1200-03-9)

Guidance literature:

With silver(I) bromide; trimethylsilyl bromide; oxygen; cyclo-octa-1,5-diene; In dichloromethane; water; at 20 ℃;

DOI:10.1021/acs.orglett.1c02186

Reference yield: 84.0%

→ 4-bromophenyl butyl ether (1200-03-9)

Guidance literature:

With sodium hydroxide; In water; for 12h; Reflux;

upstream raw materials:

4-phenoxybutan-1-ol

1,4-dibromo-butane

phenol

sodium phenoxide

Downstream raw materials:

2-(5-phenoxypentyl)pyridine

(4-phenoxy-butyl)-diphenyl-amine

dimethyl-(4-phenoxy-butyl)-amine

diethyl-(4-phenoxy-butyl)-amine