Benzene, 1-butyl-4-methyl-

Base Information

• Chemical Name: Benzene, 1-butyl-4-methyl-
• CAS No.: 1595-05-7
• Molecular Formula: C11H16
• Molecular Weight: 148.248
• Hs Code.: 29029090
• DSSTox Substance ID: DTXSID9074272
• Nikkaji Number: J61.501C
• Wikidata: Q82002678
• Mol file: 1595-05-7.mol

Synonyms:1-butyl-4-methylbenzene;1595-05-7;Benzene, 1-butyl-4-methyl-;4-N-butyltoluene;p-Butyltoluene;4-Butyltoluene;TOLUENE, p-BUTYL-;1-butyl-4-methyl-benzene;1-Methyl,4-n-Butylbenzene;Benzene, 1-methyl-4-butyl;DTXSID9074272;FT-0619167;A810034;p-Butyltoluene [UN2667] [Keep away from food]

Chemical Property of Benzene, 1-butyl-4-methyl-

Chemical Property:

• Vapor Pressure: 0.355mmHg at 25°C
• Melting Point: -85°C
• Refractive Index: 1.4898
• Boiling Point: 205.6°Cat760mmHg
• Flash Point: 71.1°C
• PSA: 0.00000
• Density: 0.864g/cm³
• LogP: 3.33760
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 148.125200510
• Heavy Atom Count: 11
• Complexity: 88.2

Purity/Quality:

98%min ^*data from raw suppliers

1-Butyl-4-methylbenzene 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C

Technology Process of Benzene, 1-butyl-4-methyl-

There total 68 articles about Benzene, 1-butyl-4-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: 91.0%

n-butyllithium (109-72-8,29786-93-4) + 4-tolyl iodide (624-31-7) → (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + p-butyltoluene (1595-05-7)

Guidance literature:

n-butyllithium; With indium(III) chloride; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

4-tolyl iodide; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; hexane; for 1.66667h; Heating;

DOI:10.1021/ol035883o

Reference yield: 85.0%

n-butyllithium (109-72-8,29786-93-4) + 4-tolyl iodide (624-31-7) → p-butyltoluene (1595-05-7)

Guidance literature:

n-butyllithium; With zinc(II) iodide; lithium iodide; In tetrahydrofuran; hexane; at 0 ℃; for 3h;

4-tolyl iodide; In tetrahydrofuran; hexane; diethylene glycol dimethyl ether; at 25 - 110 ℃; for 24h;

DOI:10.1002/ejoc.201600367

Reference yield: 84.0%

n-butyllithium (109-72-8,29786-93-4) + carbon monoxide (201230-82-2) + 4-tolyl iodide (624-31-7) → p-butyltoluene (1595-05-7) + n-butyl p-tolyl ketone (1671-77-8)

Guidance literature:

n-butyllithium; With indium(III) chloride; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

carbon monoxide; 4-tolyl iodide; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; hexane; at 60 ℃; for 0.5h;

DOI:10.1021/jo0495790

upstream raw materials:

n-butyllithium

para-bromotoluene

1-(4-methylphenyl)butan-1-one

1-butyl-4-(chloromethyl)benzene

Downstream raw materials:

methyl (S)-2-(4-bromophenyl)-3-(4-butylphenyl)propanoate

5-n-butyl-8-methyl-1,2,3,4-tetraphenylnaphthalene

Refernces

• 1、 Koga, Hirotaka,Namba, Naoko,Takahashi, Tsukasa,Nogi, Masaya,Nishina, Yuta. "Renewable Wood Pulp Paper Reactor with Hierarchical Micro/Nanopores for Continuous-Flow Nanocatalysis". . p. 2560 - 2565. Retrieved 2017.
• 2、 Alazet, Sébastien,West, Michael S.,Patel, Purvish,Rousseaux, Sophie A. L.. "Synthesis of Nitrile-Bearing Quaternary Centers by an Equilibrium-Driven Transnitrilation and Anion-Relay Strategy". supporting information. p. 10300 - 10304. Retrieved 2019/07/04.
• 3、 Zhang, Ailing,Wang, Congxiao,Lai, Xiaoyu,Zhai, Xiaofang,Pang, Maofu,Tung, Chen-Ho,Wang, Wenguang. "Reactivity of the diphosphinodithio ligated nickel(0) complex toward alkyl halides and resultant nickel(i) and nickel(ii)-alkyl complexes". supporting information. p. 15757 - 15764. Retrieved 2018/11/23.