1-(1,2,2-Trimethylpropyl)benzene

Base Information

• Chemical Name: 1-(1,2,2-Trimethylpropyl)benzene
• CAS No.: 19262-20-5
• Molecular Formula: C12H18
• Molecular Weight: 162.275
• Hs Code.: 2902909090
• European Community (EC) Number: 830-424-9
• DSSTox Substance ID: DTXSID90940926
• Nikkaji Number: J114.086H
• Mol file: 19262-20-5.mol

Synonyms:(1,2,2-TRIMETHYLPROPYL)BENZENE;(R)-(3,3-dimethylbutan-2-yl)benzene;(R,S)-3,3-dimethyl-2-phenylbutane;dimethyl-2,2 phenyl-3 butane;m-tert-butyl-ethylbenzene;tert-butylethylbenzene;2-PHENYL-3,3-DIMETHYLBUTANE;3,3-dimethyl-2-phenyl-1-butene;p-(t-butyl)ethylbenzene;Benzene,(1,2,2-trimethylpropyl);

Chemical Property of 1-(1,2,2-Trimethylpropyl)benzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.83620
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 162.140850574
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(1,2,2-Trimethylpropyl)benzene

There total 31 articles about 1-(1,2,2-Trimethylpropyl)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: 75.0%

(3,3-dimethylbut-1-en-2-yl)benzene (5676-29-9) → (1,2,2-Trimethyl-propyl)-benzene (19262-20-5)

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 27h; under 19000 Torr;

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

Reference yield: 64.0%

3,3-dimethyl-2-phenyl-butan-2-ol (21811-48-3) → (1,2,2-Trimethyl-propyl)-benzene (19262-20-5)

Guidance literature:

With hydrogen bromide; acetic acid; zinc; at 0 ℃;

Reference yield:

aluminium trichloride (7446-70-0) + 1,1-Dibromoethane (557-91-5) + 2,3-dimethylbutane (79-29-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → ethylbenzene (100-41-4,27536-89-6) + (1,2,2-Trimethyl-propyl)-benzene (19262-20-5)

Guidance literature:

DOI:10.1021/ja01567a075

upstream raw materials:

3-(tert-butyl)benzo[b]thiophene

(3,3-dimethylbut-1-en-2-yl)benzene

3,3-dimethyl-2-butanol

benzene

Downstream raw materials:

acetic acid-[4-(1,2,2-trimethyl-propyl)-anilide]

1-nitro-4-(1,2,2-trimethylpropyl)benzene

S-(-)-2,2-Dimethyl-3-cyclohexylbutan

4,5,5-trimethyl-4-phenyl-[1,2]oxathiolane-2,2-dioxide