1-Methyl-4-(1-methylpropyl)-benzene

Base Information

• Chemical Name: 1-Methyl-4-(1-methylpropyl)-benzene
• CAS No.: 1595-16-0
• Molecular Formula: C11H16
• Molecular Weight: 148.248
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID00873291
• Nikkaji Number: J91.298K
• Wikidata: Q27160474
• Mol file: 1595-16-0.mol

Synonyms:1595-16-0;1-Methyl-4-(1-methylpropyl)-benzene;4-(2-Butyl)toluene;1-butan-2-yl-4-methylbenzene;Benzene, 1-methyl-4-(1-methylpropyl)-;1-Sec-butyl-4-methylbenzene;1-METHYL-4-(1-METHYLPROPYL)BENZENE;1-(sec-butyl)-4-methylbenzene;p-s-butyltoluene;4-sec-Butyltoluene;Toluene, p-sec-butyl-;1-Methyl-4-sec-butylbenzene;1-Sec-butyl-4-methylbenzene #;CHEBI:88583;DTXSID00873291;1-(Butan-2-yl)-4-methylbenzene;Q27160474

Chemical Property of 1-Methyl-4-(1-methylpropyl)-benzene

Chemical Property:

• Vapor Pressure: 0.574mmHg at 25°C
• Melting Point: -44.72°C (estimate)
• Refractive Index: 1.4910
• Boiling Point: 195.9°Cat760mmHg
• Flash Point: 64.8°C
• PSA: 0.00000
• Density: 0.86g/cm³
• LogP: 3.50850
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 148.125200510
• Heavy Atom Count: 11
• Complexity: 98.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Methyl-4-(1-methylpropyl)-benzene

There total 44 articles about 1-Methyl-4-(1-methylpropyl)-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: 86.0%

phosphoric acid tributyl ester (126-73-8) + toluene-4-sulfonic acid (104-15-4) + toluene (108-88-3,15644-74-3,16713-13-6) → butyl para-toluenesulfonate (778-28-9) + 1-sec-butyl-4-methylbenzene (1595-16-0) + 2-sec-butyltoluene (1595-06-8,88329-15-1)

Guidance literature:

In methyl cyclohexane; for 72h; Product distribution; Heating; investigate effect of molar ratio, solvent and reaction time;

Reference yield: 83.0%

s-butyl bromide (78-76-2,5787-31-5) + para-methylphenylmagnesium bromide (4294-57-9) → 1-sec-butyl-4-methylbenzene (1595-16-0)

Guidance literature:

s-butyl bromide; With C₃₃H₄₉N₂O₂⁽¹⁺⁾*Cl₄Fe^(1-); In diethyl ether; at 0 ℃; for 0.0333333h;

para-methylphenylmagnesium bromide; In diethyl ether; at 0 - 30 ℃;

DOI:10.1039/c2dt30931a

Reference yield: 75.0%

para-bromotoluene (106-38-7) + s-butyl bromide (78-76-2,5787-31-5) → 1-sec-butyl-4-methylbenzene (1595-16-0) + (4,4'-dimethyl-1,1'-biphenyl) (613-33-2)

Guidance literature:

With N,N,N′,N′-tetramethylcyclohexane-1,2-diamine; magnesium; cobalt(II) chloride; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

DOI:10.1055/s-0029-1218012

upstream raw materials:

ethene

4-methylethylbenzene

α,β,p-trimethylstyrene

2-(4-Methylcyclohex-3-en-1-yl)-butan-2-ol

Downstream raw materials:

terephthalic acid

CH₃C₆H₄CH(CH₃)OH

2-(4-methoxyphenyl)-2-butanol

4-(1-methylpropyl)-benzenemethanol

Refernces

• 1、 Shoesmith,McGechen. "-". . p. 2231,2234. Retrieved 1930.
• 2、 Xia, Chong-Liang,Xie, Cun-Fei,Wu, Yu-Feng,Sun, Hong-Mei,Shen, Qi,Zhang, Yong. "Efficient cross-coupling of aryl Grignard reagents with alkyl halides by recyclable ionic iron(iii) complexes bearing a bis(phenol)-functionalized benzimidazolium cation". . p. 8135 - 8144. Retrieved 2013/12/04.
• 3、 Zupp, Laurine R.,Campanella, Veronica L.,Rudzinski, Diandra M.,Beland, Franois,Priefer, Ronny. "Microwave-assisted silica-supported aluminum chloride-catalyzed Friedel-Crafts alkylation". . p. 5343 - 5346. Retrieved 2012/10/30.