(1,2-Dimethylpropyl)benzene

Base Information

• Chemical Name: (1,2-Dimethylpropyl)benzene
• CAS No.: 4481-30-5
• Molecular Formula: C11H16
• Molecular Weight: 148.248
• Hs Code.: 2902909090
• European Community (EC) Number: 621-326-5
• NSC Number: 112995
• DSSTox Substance ID: DTXSID10871081
• Nikkaji Number: J103.229A
• Mol file: 4481-30-5.mol

Synonyms:(1,2-Dimethylpropyl)benzene;4481-30-5;(3-Methylbutan-2-yl)benzene;2-Methyl-3-phenylbutane;3-methylbutan-2-ylbenzene;2-Phenyl-3-methylbutane;3-Methyl-2-phenylbutane;Butane, 2-methyl-3-phenyl-;Benzene, (1,2-dimethylpropyl)-;1-(3-Methylbutan-2-yl)benzene;NSC112995;NSC 112995;Benzene,2-dimethylpropyl)-;(1,2-Dimethylpropyl)benzene #;DTXSID10871081;NQRMTOKLHZNAQH-UHFFFAOYSA-N;MFCD00059213;AKOS004907449;AB90784;NSC-112995;CS-0323121;D1368;FT-0710740;T70930;(METHYLTHIO)(MORPHOLIN-4-YL)METHYLENE]MALONONITRILE

Chemical Property of (1,2-Dimethylpropyl)benzene

Chemical Property:

• Vapor Pressure: 0.919mmHg at 25°C
• Melting Point: -44.72°C (estimate)
• Refractive Index: 1.4900-1.4920
• Boiling Point: 186.3°Cat760mmHg
• Flash Point: 56.9°C
• PSA: 0.00000
• Density: 0.857g/cm³
• LogP: 3.44610
• Storage Temp.: 2-8°C
• XLogP3: 4.5
• 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:

98%,99%, ^*data from raw suppliers

(1,2-Dimethylpropyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of (1,2-Dimethylpropyl)benzene

There total 55 articles about (1,2-Dimethylpropyl)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: 100.0%

3-methyl-2-phenyl-1-butene (17498-71-4) → 2-methyl-3-phenylbutane (4481-30-5)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; (R)-2-diphenylphosphino-2'-diphenylphosphinomethyl-1,1'-binaphthyl; In methanol; benzene; at 30 ℃; for 24h; under 19000 Torr;

DOI:10.1016/S0022-328X(96)06712-5

Reference yield: 99.0%

α,β,β-trimethylstyrene (769-57-3) → 2-methyl-3-phenylbutane (4481-30-5)

Guidance literature:

With 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthenecobalt(II) dibromide; hydrogen; lithium triethylborohydride; In tetrahydrofuran; at 80 ℃; for 24h; under 7500.75 Torr;

DOI:10.1021/acscatal.9b01584

Reference yield:

tery-amylbenzene (2049-95-8) → Isopropylbenzene (98-82-8) + ethylbenzene (100-41-4,27536-89-6) + phenylpropane (103-65-1) + (2,2-dimethyl-1-propyl)benzene (1007-26-7) + 2-methyl-3-phenylbutane (4481-30-5) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

aluminium trichloride; In benzene; at 40 ℃; for 2h; Product distribution; Mechanism; other catalysts: AlCl₃/SiO₂, AlCl₃-MnCl₂/SiO₂, other reaction time;

upstream raw materials:

propene

ethylbenzene

3-methyl-2-phenyl-1-butene

α,β,β-trimethylstyrene

Downstream raw materials:

p-(1,2-dimethylpropyl)nitrobenzene

2,2-dimethylbutyric acid

methylbutane

2,2,3-trimethylindan-1-one

Refernces

• 1、 Belli, Roman G.,Joannou, Matthew V.,Roberts, Courtney C.,Tafuri, Victoria C.. "D0Metal-Catalyzed Alkyl-Alkyl Cross-Coupling Enabled by a Redox-Active Ligand". . p. 3094 - 3099. Retrieved 2022/03/15.
• 2、 Cook, Adam,MacLean, Haydn,St. Onge, Piers,Newman, Stephen G.. "Nickel-catalyzed reductive deoxygenation of diverse C-O bond-bearing functional groups". . p. 13337 - 13347. Retrieved 2021/11/20.