Benzene, 1,3-dimethyl-2-(1-methylethyl)-

Base Information

• Chemical Name: Benzene, 1,3-dimethyl-2-(1-methylethyl)-
• CAS No.: 14411-75-7
• Molecular Formula: C11H16
• Molecular Weight: 148.248
• DSSTox Substance ID: DTXSID10437025
• Nikkaji Number: J338.428D
• Wikidata: Q82252382
• Mol file: 14411-75-7.mol

Synonyms:14411-75-7;2,6-Dimethylisopropylbenzene;isopropyl-m-xylene;Cumene, 2,6-dimethyl-;Benzene, 1,3-dimethyl-2-(1-methylethyl)-;1-Isopropyl-2,6-dimethylbenzene;DTXSID10437025;1,3-Dimethyl-2-(1-methylethyl)benzene

Chemical Property of Benzene, 1,3-dimethyl-2-(1-methylethyl)-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 148.125200510
• Heavy Atom Count: 11
• Complexity: 105

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)C(C)C

Technology Process of Benzene, 1,3-dimethyl-2-(1-methylethyl)-

There total 11 articles about Benzene, 1,3-dimethyl-2-(1-methylethyl)- 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%

isopropylboronic acid (80041-89-0) + 2-Bromo-m-xylene (576-22-7) → 2-isopropyl-1,3-dimethylbenzene (14411-75-7)

Guidance literature:

With potassium phosphate monohydrate; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; C₂₀H₃₄O₃P₂; In toluene; at 100 ℃; Inert atmosphere;

DOI:10.1002/anie.201411518

Reference yield: 93.0%

isopropylboronic acid (80041-89-0) + 2,6-dimethyl-1-chlorobenzene (6781-98-2) → 2-isopropyl-1,3-dimethylbenzene (14411-75-7)

Guidance literature:

With bis[1-methylnaphthylpalladium(II) bromide]; potassium carbonate; tri tert-butylphosphoniumtetrafluoroborate; In water; toluene; at 80 ℃; for 11h;

DOI:10.1002/anie.202110450

Reference yield: 80.0%

2-Bromo-m-xylene (576-22-7) + isopropyllithium (1888-75-1) → 2-isopropyl-1,3-dimethylbenzene (14411-75-7)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; In toluene; at 20 ℃; for 1h;

DOI:10.1039/c3sc53047g

upstream raw materials:

2,6-dimethylisopropenylbenzene

4-methylisopropylbenzene

methyl trifluoromethanesulfonate

2-Isopropyl-1,3-dimethylcyclohexadien

Downstream raw materials:

2-Isopropyl-3-methylphenethylbromid

2-Isopropyl-3-methyl-phenetylalkohol

2-Isopropyl-3-methyl-benzylcyanid

2-Isopropyl-3-methyl-1-phenylacetamid