Benzene, 2,4-dimethyl-1-(1-methylpropyl)-

Base Information

• Chemical Name: Benzene, 2,4-dimethyl-1-(1-methylpropyl)-
• CAS No.: 1483-60-9
• Molecular Formula: C12H18
• Molecular Weight: 162.275
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID90873043
• Nikkaji Number: J113.058G
• Mol file: 1483-60-9.mol

Synonyms:1483-60-9;1-butan-2-yl-2,4-dimethylbenzene;Benzene, 2,4-dimethyl-1-(1-methylpropyl)-;1-(sec-Butyl)-2,4-dimethylbenzene;2,4-Dimethyl-1-(1-methylpropyl)benzene;1,3-dimethyl-4-s-butylbenzene;1,3-Dimethyl-4-secbutylbenzene;DTXSID90873043;1-Sec-butyl-2,4-dimethylbenzene;KAXODKSCABORIG-UHFFFAOYSA-N;1-Sec-butyl-2,4-dimethylbenzene #;1-(Butan-2-yl)-2,4-dimethylbenzene;Benzene, 1,3-dimethyl-4-(1-methylpropyl)

Chemical Property of Benzene, 2,4-dimethyl-1-(1-methylpropyl)-

Chemical Property:

• Vapor Pressure: 0.17mmHg at 25°C
• Melting Point: -25.43°C (estimate)
• Refractive Index: 1.4939
• Boiling Point: 220.2°Cat760mmHg
• Flash Point: 81.3°C
• PSA: 0.00000
• Density: 0.86g/cm³
• LogP: 3.81690
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 162.140850574
• Heavy Atom Count: 12
• Complexity: 128

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=C(C=C(C=C1)C)C

Technology Process of Benzene, 2,4-dimethyl-1-(1-methylpropyl)-

There total 11 articles about Benzene, 2,4-dimethyl-1-(1-methylpropyl)- 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: 94.0%

1-methylpropylboronic acid (88496-88-2) + 2,4-dimethylchlorobenzene (95-66-9) → 1-(sec-butyl)-2,4-dimethylbenzene (1483-60-9)

Guidance literature:

With methanesulfonato tri(tert-butyl)phosphine (2'-amino-1,1‘-biphenyl-2-yl) palladium (II); potassium carbonate; In water; toluene; at 100 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1021/ja508815w

Reference yield: 93.0%

potassium sec-butyltrifluoroborate + 2,4-dimethylchlorobenzene (95-66-9) → 1-(sec-butyl)-2,4-dimethylbenzene (1483-60-9)

Guidance literature:

With methanesulfonato tri(tert-butyl)phosphine (2'-amino-1,1‘-biphenyl-2-yl) palladium (II); potassium carbonate; In water; toluene; at 100 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1021/ja508815w

Reference yield: 82.0%

Tri-sec-butyl phosphate (2528-45-2) + toluene-4-sulfonic acid (104-15-4) + m-xylene (108-38-3,104809-90-7) → 1-(sec-butyl)-2,4-dimethylbenzene (1483-60-9)

Guidance literature:

In m-xylene; at 80 ℃; for 4h;

upstream raw materials:

m-xylene

iso-butanol

2-tosyloxybutane

ethylmagnesium bromide

Downstream raw materials:

5-tert-Butyl-m-xylene

1-(sec-butyl)-3,5-dimethylbenzene

1,2,3,5-tetrabromo-4,6-dimethyl-benzene