Benzene, propenyl-

Base Information

• Chemical Name: Benzene, propenyl-
• CAS No.: 637-50-3
• Molecular Formula: C9H10
• Molecular Weight: 118.178
• Hs Code.: 2902909090
• Wikidata: Q22133386
• Mol file: 637-50-3.mol

Synonyms:Benzene, propenyl-;methyl-styrene;3-methylvinylbenzene;(Z)-prop-1-enylbenzene;FT-0623936;FT-0676443;P0495;Q22133386

Chemical Property of Benzene, propenyl-

Chemical Property:

• Vapor Pressure: 2.24mmHg at 25°C
• Melting Point: -27.1°C
• Refractive Index: n20/D 1.550(lit.)
• Boiling Point: 167.5 °C at 760 mmHg
• Flash Point: 49.4 °C
• PSA: 0.00000
• Density: 0.906 g/cm³
• LogP: 2.71970
• Storage Temp.: 2-8°C
• Water Solubility.: Insoluble in water
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 118.078250319
• Heavy Atom Count: 9
• Complexity: 86.2

Purity/Quality:

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

β-Methylstyrene(MixtureofCis-Transisomers) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N,F,Xi
• Hazard Codes: Xn,N,F,Xi
• Statements: 10-37/38-41-43-51/53-65
• Safety Statements: 16-26-36/37/39-61-62

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC1=CC=CC=C1
• Uses: β-Methylstyrene is a styrene derivative that is used as a chemical intermediate in the manufacture of plasticizers, resins and polymers. β-Methylstyrene is also produced from the combustion of methamp hetamine.

Technology Process of Benzene, propenyl-

There total 411 articles about Benzene, 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: 55.0%

trans-2,3-epoxy-3-phenylpropan-1-ol (40641-81-4) → allylbenzene (300-57-2,57807-91-7) + 1-phenylpropene (637-50-3) + (2E)-3-phenyl-2-propen-1-ol (4407-36-7)

Guidance literature:

With niobium pentachloride; zinc; In tetrahydrofuran; benzene; at 23 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.tet.2009.02.013

Reference yield: 53.0%

3-Phenylpropenol (104-54-1) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1-phenylpropene (637-50-3) + 3-phenyl-propenal (104-55-2)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; triphenylphosphine; In tetrahydrofuran; at 30 ℃; for 48h; Product distribution;

DOI:10.1021/ja00413a014

Reference yield: 30.0%

bis(1,5-cyclooctadiene)nickel (0) (1295-35-8) + 3-Phenylpropenol (104-54-1) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 1-phenylpropene (637-50-3) + Ni(C6H5CHCHCHO)(P(C6H5)3)2 (63576-88-5) + water (7732-18-5) + 3-phenyl-propenal (104-55-2)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; under N2 or argon or under vac., soln. of org. compd. (3.8 mol) added to mixt. of Ni(cod)2 and PPh3 (1.0/2.2 mol ratio), stirred at 30°Cfor 2 d; detn. by IR and NMR;

DOI:10.1021/ja00413a014

upstream raw materials:

ethylmagnesium iodide

1-Phenyl-1-propanol

allylbenzene

trans-3-phenylprop-2-enyl chloride

Downstream raw materials:

2-bromo-1-methoxy-1-phenylpropane

4-methyl-2-(1-methyl-2-phenyl-ethyl)-phenol

N-(1-methyl-2-phenylethyl)aniline

Methyl-N-(2-iod-1-phenyl-propan)-carbamat

Refernces

• 1、 Mu?oz, Salvador B.,Daifuku, Stephanie L.,Brennessel, William W.,Neidig, Michael L.. "Isolation, Characterization, and Reactivity of Fe8Me12-: Kochi's S = 1/2 Species in Iron-Catalyzed Cross-Couplings with MeMgBr and Ferric Salts". . p. 7492 - 7495. Retrieved 2016.
• 2、 Levitin et al.. "". . . Retrieved 1973.
• 3、 Vasil'kov, Alexander Yu.,Nikolaev, Sergey A.,Smirnov, Vladimir V.,Naumkin, Alexander V.,Volkov, Ilija O.,Podshibikhin, Vladislav L.. "An XPS study of the synergetic effect of gold and nickel supported on SiO2 in the catalytic isomerization of allylbenzene". . p. 268 - 270. Retrieved 2007.
• 4、 Belkova, Natalia V.,De-Botton, Sophie,Epstein, Lina M.,Filippov, Oleg A.,Gelman, Dmitri,Kirkina, Vladislava A.,Pavlov, Alexander A.,Shubina, Elena S.,Silantyev, Gleb A.,Titova, Ekaterina M.. "Stereoisomerism as an Origin of Different Reactivities of Ir(III) PC(sp3)P Pincer Catalysts". . p. 11962 - 11975. Retrieved 2020.
• 5、 Fan, Haoyu,Hartwig, John F.,Ma, Senjie,Roediger, Sven,Xi, Yumeng. "Enantioselective hydroamination of unactivated terminal alkenes". supporting information. p. 532 - 542. Retrieved 2022/02/11.
• 6、 Eckert, Philip,Organ, Michael G.. "Impact of N-Aryl- and NHC Core-Substituents on the Coupling of Alkylzinc Nucleophiles: Is Bigger always Better?". supporting information. . Retrieved 2022/05/17.