trans-2-Phenyl-2-butene

Base Information

• Chemical Name: trans-2-Phenyl-2-butene
• CAS No.: 2082-61-3
• Molecular Formula: C₁₀H₁₂
• Molecular Weight: 132.205
• DSSTox Substance ID: DTXSID40862407
• Mol file: 2082-61-3.mol

Synonyms:(but-2-en-2-yl)benzene;767-99-7;(1-methyl-1-propenyl)benzene;DTXSID40862407;Benzene, (1-methyl-1-propen-1-yl)-;FT-0771510

Chemical Property of trans-2-Phenyl-2-butene

Chemical Property:

• Vapor Pressure: 1.65mmHg at 25°C
• Boiling Point: 174°Cat760mmHg
• Flash Point: 55.7°C
• PSA: 0.00000
• Density: 0.879g/cm³
• LogP: 3.10980
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 132.093900383
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of trans-2-Phenyl-2-butene

There total 42 articles about trans-2-Phenyl-2-butene 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%

1-ethylstyrene (2039-93-2) → 2-phenylbut-2-ene (767-99-7,768-00-3,2082-61-3)

Guidance literature:

With borane-ammonia complex; (3aR,7aR)-1,3-diisopropyl-2-((2-((E)-(quinolin-2-ylmethylene)amino)phenyl)amino)octahydro-1H-benzo[d][1,3,2]diazaphosphole 2-oxide; cobalt(II) bromide; sodium t-butanolate; In toluene; at 60 ℃; for 12h; Reagent/catalyst; Solvent; Glovebox; Inert atmosphere;

DOI:10.1021/jacs.0c02101

Reference yield: 92.8%

β-phenylisovaleryl p-nitrobenzoyl peroxide (51380-79-1) → 4,4-dimethyl-2-oxo-chroman (29598-22-9) + 2-Methyl-1-phenyl-2-propanol (100-86-7) + (2-methyl-1-propenyl)-benzene (768-49-0) + 3-phenylbut-1-ene (934-10-1) + 2-phenylbut-2-ene (767-99-7,768-00-3,2082-61-3) + 4-nitro-benzoic acid (62-23-7)

Guidance literature:

With P₀ silica; at 40 ℃; Rate constant; reactions without P₀ silica in cyclohexane at the various temperatures;

DOI:10.1021/ja00416a013

Reference yield: 83.0%

2-phenyl-2-butanol (1565-75-9,19641-57-7) → 2-phenylbut-2-ene (767-99-7,768-00-3,2082-61-3)

Guidance literature:

With Nafion-H; acetic anhydride; In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

trans-but-2-enyl chloride

2-methyl-2-phenyl-propan-1-ol

2-phenyl-2-butanol

neophyl chloride

Downstream raw materials:

1-phenyl-1,2-dimethyloxirane

3-phenylselenophene

1-phenylbut-1-ene

1-butylbenzene