2-Methyl-1-phenylpropene

Base Information

• Chemical Name: 2-Methyl-1-phenylpropene
• CAS No.: 768-49-0
• Molecular Formula: C10H12
• Molecular Weight: 132.205
• Hs Code.: 2902909090
• European Community (EC) Number: 212-194-6
• NSC Number: 163349
• UNII: XR7OYT372M
• DSSTox Substance ID: DTXSID0061111
• Nikkaji Number: J91.269G
• Wikidata: Q81989319
• Mol file: 768-49-0.mol

Synonyms:768-49-0;2-Methyl-1-phenylpropene;(2-Methylprop-1-en-1-yl)benzene;(2-Methylpropenyl)benzene;2-Methyl-1-phenyl-1-propene;1-Phenyl-2-methylpropene;Benzene, (2-methyl-1-propenyl)-;2-methylprop-1-enylbenzene;(2-METHYL-1-PROPENYL)BENZENE;Benzene, (2-methylpropenyl)-;isobutenylbenzene;1,1-Dimethyl-2-phenylethylene;1-Propene, 2-methyl-1-phenyl-;Propene, 2-methyl-1-phenyl-;.beta.-Methylisoallylbenzene;1-Phenyl-2-methyl-1-propene;Benzene, (2-methyl-1-propen-1-yl)-;.beta.,.beta.-Dimethylstyrene;beta,beta-Dimethylstyrene;beta-Methylisoallylbenzene;NSC 163349;XR7OYT372M;EINECS 212-194-6;MFCD00008899;NSC-163349;NSC163349;UNII-XR7OYT372M;2-BENZYLIDENEPROPANE;BENZENE, ISOBUTENYL-;(2-methyl-propenyl)-benzene;.BETA.-DIMETHYLSTYRENE;(2-methylprop-1-enyl)benzene;DTXSID0061111;(2-Methyl-1-propenyl)benzene #;2-Methylprop-1-en-1-yl)benzene;2-Methyl-1-phenyl-1-propene, 99%;2-METHYL-3-PHENYL-2-PROPENE;AKOS015889451;CS-W007259;DS-6358;SY055240;(2-METHYL-1-PROPEN-1-YL)BENZENE;FT-0733561;M1015;W16227;A865400

Chemical Property of 2-Methyl-1-phenylpropene

Chemical Property:

• Vapor Pressure: 0.849mmHg at 25°C
• Melting Point: −50-−48 °C(lit.)
• Refractive Index: n20/D 1.539(lit.)
• Boiling Point: 187-188 °C(lit.)
• Flash Point: 138 °F
• PSA: 0.00000
• Density: 0.901 g/mL at 25 °C(lit.)
• LogP: 3.10980
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 132.093900383
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

98% ^*data from raw suppliers

(2-Methylprop-1-en-1-yl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC=CC=C1)C
• Uses: 2-Methyl-1-phenyl-1-propene has been used in the preparation of 2-bromo-2-methyl-1-phenylpropan-1-ol and 1-bromo-2-methyl-1-phenylpropan-2-ol.

Technology Process of 2-Methyl-1-phenylpropene

There total 266 articles about 2-Methyl-1-phenylpropene 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: 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: 87.0%

β-phenylisovaleryl peroxide (62726-47-0) → 4,4-dimethyl-2-oxo-chroman (29598-22-9) + 2-methyl-1-phenyl-2-propene (3290-53-7) + (2-methyl-1-propenyl)-benzene (768-49-0) + 1-ethylstyrene (2039-93-2) + 3-methyl-3-phenylbutanoic acid (1010-48-6) + 3-Methyl-3-phenyl-butyric acid 1,1-dimethyl-2-phenyl-ethyl ester (62698-31-1)

Guidance literature:

With P₁ silica; Product distribution; Rate constant; CH₃CN as a solvent, other temperature, possible ways of the products formation;

DOI:10.1021/ja00416a013

Reference yield: 81.3%

β-phenylisovaleryl peroxide (62726-47-0) → 4,4-dimethyl-2-oxo-chroman (29598-22-9) + 2-methyl-1-phenyl-2-propene (3290-53-7) + (2-methyl-1-propenyl)-benzene (768-49-0) + 2-phenylbut-2-ene (767-99-7,768-00-3,2082-61-3) + 3-methyl-3-phenylbutanoic acid (1010-48-6) + 3-Methyl-3-phenyl-butyric acid 1,1-dimethyl-2-phenyl-ethyl ester (62698-31-1)

Guidance literature:

With P₀ silica; at 55 ℃; Product distribution; Rate constant; Kinetics; other temperatures, photolysis, additional reagents (PhC(CH₃)2CH₂COOH, coadsorbed O₂), possible ways of the products formation;

DOI:10.1021/ja00416a013

upstream raw materials:

pyridine

2-chloro-2-methyl-1-phenylpropane

quinoline

4-bromo-isobutylbenzene

Downstream raw materials:

2-methoxy-2-methyl-1-phenyl-propylmercury ⁽¹⁺⁾; chloride

N-(1,1-dimethyl-2-phenyl-ethyl)-formamide

3-Methyl-4-phenyl-3-butensaeure

2,2-dimethyl-3-phenyloxirane

Refernces

• 1、 Cardin et al.. "". . p. C23. Retrieved 1977.
• 2、 Orfanidou, Maria,Petsi, Marina,Zografos, Alexandros L.. "Organocatalytic epoxidation and allylic oxidation of alkenes by molecular oxygen". supporting information. p. 9172 - 9178. Retrieved 2021/11/30.
• 3、 Albright, Haley,Schindler, Corinna S.,Vonesh, Hannah L.. "Superelectrophilic Fe(III)-Ion Pairs as Stronger Lewis Acid Catalysts for (E)-Selective Intermolecular Carbonyl-Olefin Metathesis". supporting information. p. 3155 - 3160. Retrieved 2020/04/21.