Benzene, (1,1,2-trimethyl-2-propenyl)-

Base Information

• Chemical Name: Benzene, (1,1,2-trimethyl-2-propenyl)-
• CAS No.: 22557-45-5
• Molecular Formula: C12H16
• Molecular Weight: 160.259
• DSSTox Substance ID: DTXSID90484633
• Nikkaji Number: J3.241.936D
• Wikidata: Q82323145
• Mol file: 22557-45-5.mol

Synonyms:22557-45-5;Benzene, (1,1,2-trimethyl-2-propenyl)-;DTXSID90484633;(1,1,2-trimethyl-2-propenyl)benzene;1,1,2-trimethyl-prop-2-enyl-benzene

Chemical Property of Benzene, (1,1,2-trimethyl-2-propenyl)-

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzene, (1,1,2-trimethyl-2-propenyl)-

There total 20 articles about Benzene, (1,1,2-trimethyl-2-propenyl)- 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: 80.0%

2,3-Dimethyl-2-butene (563-79-1) + 2-(trimethylsilyl)phenyl trifluoromethanesulfonate (88284-48-4) → 2,3-dimethyl-3-phenyl-1-butene (22557-45-5)

Guidance literature:

With cesium fluoride; In acetonitrile; at 25 ℃; for 12h;

DOI:10.1016/j.tetlet.2013.08.049

Reference yield: 25.0%

C11H14B(1-)*Li(1+) (121826-89-9) + dimethyl sulfate (77-78-1) → 1-Phenylprop-1-yne (673-32-5) + 2,3-dimethyl-3-phenylbutan-2-ol (2371-91-7) + 2,3-dimethyl-3-phenyl-1-butene (22557-45-5) + phenylacetylene (536-74-3)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; Yield given. Multistep reaction; 1.) Et₂O, -78 deg C, warming to 25 deg C, 2h;

DOI:10.1016/S0040-4039(00)80450-5

Reference yield: 12.0%

2,3-Dimethyl-2-butene (563-79-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2,3-dimethyl-3-phenyl-1-butene (22557-45-5) + 7,7,8,8-Tetramethyl-bicyclo[4.2.0]octa-2,4-diene (74202-50-9) + 3-(1,1,2-Trimethyl-allyl)-cyclohexa-1,4-diene (34610-18-9) + 5,5,6,6-Tetramethyl-tricyclo<5.1.0.04.8>octen-2 (13387-70-7)

Guidance literature:

Product distribution; Mechanism; Quantum yield; Irradiation; other solvents, further alkenes, other periods of time;

upstream raw materials:

2,3-dimethyl-3-phenylbutan-2-ol

3,3-dimethyl-2-phenyl-butan-2-ol

2,3-dimethyl-2-nitro-3-phenylbutane

3,3-dimethyl-2-phenyl-2-butyl p-nitrobenzoate

Downstream raw materials:

2,3-dimethyl-3-phenylbutan-2-ol

2,3-dimethyl-2-phenylbutane

3,3-dimethyl-2-phenyl-butan-2-ol

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