1-Bromo-4-butylbenzene

Base Information

• Chemical Name: 1-Bromo-4-butylbenzene
• CAS No.: 41492-05-1
• Molecular Formula: C10H13Br
• Molecular Weight: 213.117
• Hs Code.: 29039990
• European Community (EC) Number: 472-210-4
• DSSTox Substance ID: DTXSID10334540
• Nikkaji Number: J730.044A
• Wikidata: Q72452191
• Mol file: 41492-05-1.mol

Synonyms:1-Bromo-4-butylbenzene;41492-05-1;1-Bromo-4-n-Butylbenzene;4-Bromo-n-butylbenzene;MFCD00040934;Benzene, 1-bromo-4-butyl-;4-n-Butylbromobenzene;P-BROMOBUTYLBENZENE;1-Bromo-4-(but-1-yl)benzene;4-butyl-bromobenzene;4-1-Butylbromobenzene;4-(butyl)phenylbromide;1-bromo-4-butyl benzene;1-Bromo-4-butylbenzene #;1-Bromo-4-(n-butyl)benzene;SCHEMBL687846;1-Bromo-4-butylbenzene, 97%;DTXSID10334540;AMY13506;STR02736;AKOS005256901;CS-W014978;SB66327;AC-14645;SY013489;B1907;FT-0607510;EN300-91217;EC 472-210-4;J-504440;2-AMINOMETHYL-3-(3-METHOXY-PHENYL)-PROPIONICACID

Chemical Property of 1-Bromo-4-butylbenzene

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.0503mmHg at 25°C
• Refractive Index: n20/D 1.53(lit.)
• Boiling Point: 243.3 °C at 760 mmHg
• Flash Point: 109.8 °C
• PSA: 0.00000
• Density: 1.242 g/cm³
• LogP: 3.79170
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 450μg/L at 20℃
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 212.02006
• Heavy Atom Count: 11
• Complexity: 93

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)Br
• Uses: 1-Bromo-4-butylbenzene was used in the preparation of:4-(4-butylphenyl)-2-methylbut-3-yn-2-olteraaza- and hexaazacyclophane4-butyltriphenylamine, monomer required for the preparation of poly(4-butyltriphenylamine) Intermediates of Liquid Crystals

Technology Process of 1-Bromo-4-butylbenzene

There total 25 articles about 1-Bromo-4-butylbenzene 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: 96.0%

(E)-1-bromo-4-(but-1-en-1-yl)benzene (490035-78-4) → p-bromobutylbenzene (41492-05-1)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol;

Reference yield: 89.0%

n-butyl magnesium bromide (693-03-8) + 1.4-dibromobenzene (106-37-6) → p-bromobutylbenzene (41492-05-1)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In diethyl ether; at 20 ℃; for 1h;

Reference yield: 82.0%

4-n-butylphenyl trifluoromethanesulfonate (1215100-19-8) → p-bromobutylbenzene (41492-05-1)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; t-BuBrettPhos; triisobutylaluminum; butanone; potassium bromide; In toluene; at 100 ℃; for 20h; Inert atmosphere;

DOI:10.1021/ja107481a

upstream raw materials:

butyl para-toluenesulfonate

(4-bromophenyl)magnesium bromide

4-Butylaniline

1-butylbenzene

Downstream raw materials:

4-butyl benzoic acid

(4-Butyl-phenyl)-phosphonic acid diethyl ester

1-butylbenzene

1-(4-butylphenyl)-2-trimethylsilylacetylene

Refernces

• 1、 MacNair, Alistair J.,Tran, Ming-Ming,Nelson, Jennifer E.,Sloan, G. Usherwood,Ironmonger, Alan,Thomas, Stephen P.. "Iron-catalysed, general and operationally simple formal hydrogenation using Fe(OTf)3 and NaBH4". supporting information. p. 5082 - 5088. Retrieved 2014/07/08.
• 2、 Shen, Xiaoqiang,Hyde, Alan M.,Buchwald, Stephen L.. "Palladium-catalyzed conversion of aryl and vinyl triflates to bromides and chlorides". scheme or table. p. 14076 - 14078. Retrieved 2011/01/10.