Benzene, 1-butyl-2-methyl-

Base Information

• Chemical Name: Benzene, 1-butyl-2-methyl-
• CAS No.: 1595-11-5
• Molecular Formula: C11H16
• Molecular Weight: 148.248
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID4074273
• Nikkaji Number: J61.500E
• Wikidata: Q82002680
• Mol file: 1595-11-5.mol

Synonyms:1-butyl-2-methylbenzene;Benzene, 1-butyl-2-methyl-;o-Butyltoluene;1595-11-5;Benzene, butylmethyl-;27458-20-4;Butylmethylbenzene;Toluene, o-butyl-;BUTYLTOLUENE;1-butyl-2-methyl-benzene;1-Methyl-2-n-butylbenzene;DTXSID4074273;o-Butyltoluene [UN2667] [Keep away from food]

Chemical Property of Benzene, 1-butyl-2-methyl-

Chemical Property:

• Vapor Pressure: 0.319mmHg at 25°C
• Melting Point: -44.72°C (estimate)
• Refractive Index: 1.4940
• Boiling Point: 207.7°Cat760mmHg
• Flash Point: 72.4°C
• PSA: 0.00000
• Density: 0.864g/cm³
• LogP: 3.33760
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 148.125200510
• Heavy Atom Count: 11
• Complexity: 96.2

Purity/Quality:

97% ^*data from raw suppliers

2-Butyltoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=CC=C1C
• Uses: O-BUTYLTOLUENE is a component of fuel oils. It can be used for the preparation of biofuel and flammable gas. 2-Butyltoluene, is a component of fuel oils. It can be used for the preparation of biofuel and flammable gas.

Technology Process of Benzene, 1-butyl-2-methyl-

There total 32 articles about Benzene, 1-butyl-2-methyl- 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: 95.0%

n-butyl magnesium bromide (693-03-8) + dodecyl 2-methylphenyl sulfide (1079988-46-7) → 2-butyltoluene (1595-11-5)

Guidance literature:

With Nickel (II) acetylacetonate; (Z)-3,3-dimethyl-1,2-bis(diphenylphosphino)-1-butene; In diethyl ether; for 5h; Inert atmosphere; Reflux;

DOI:10.1055/s-2008-1067193

Reference yield: 88.0%

butylboronic acid (4426-47-5) + 2-methylchlorobenzene (95-49-8) → 2-butyltoluene (1595-11-5)

Guidance literature:

With potassium phosphate; monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 100 ℃; for 18h;

DOI:10.1021/jo025732j

Reference yield: 84.0%

2-methylphenyl bromide (95-46-5) + n-butylzinc bromide (92273-73-9) → 2-butyltoluene (1595-11-5)

Guidance literature:

With Ditricyp; bis(η3-allyl-μ-chloropalladium(II)); In tetrahydrofuran; N,N-dimethyl-formamide; at 70 ℃; for 20h;

DOI:10.1016/j.tet.2007.06.072

upstream raw materials:

propyl bromide

2-methylbenzyl bromide

n-butyl magnesium bromide

2-methylchlorobenzene

Refernces

• 1、 Moeti, Lerato P.,Darkwa, James. "Symmetrically and unsymmetrically substituted bis(pyrazole)-palladium(II) and nickel(II) halides as pre-catalysts for ethylene dimerization and Friedel-Crafts alkylation of toluene and benzene". . p. 236 - 243. Retrieved 2017/02/10.
• 2、 Song, Kerning,Gao, Haiyang,Liu, Fengshou,Pan, Jin,Guo, Lihua,Zai, Shaobo,Wu, Qing. "Syntheses, structures, and catalytic ethylene oligomerization behaviors of Bis(phosphanyl)aminenickel(II) Complexes containing N-functionalized pendant groups". scheme or table. p. 3016 - 3024. Retrieved 2011/05/14.