alpha-Methylstyrene

Base Information

• Chemical Name: alpha-Methylstyrene
• CAS No.: 98-83-9
• Deprecated CAS: 2256721-46-5
• Molecular Formula: C9H10
• Molecular Weight: 118.178
• Hs Code.: 2902909090
• European Community (EC) Number: 202-705-0,607-482-7
• ICSC Number: 0732
• NSC Number: 9400
• UN Number: 2303
• UNII: D46R9753IK
• DSSTox Substance ID: DTXSID9025661
• Nikkaji Number: J3.582C
• Wikipedia: Alpha-Methylstyrene
• Wikidata: Q414195
• Metabolomics Workbench ID: 123344
• ChEMBL ID: CHEMBL1344773
• Mol file: 98-83-9.mol

Synonyms:2-phenylpropene;alpha-methyl-styrene;alpha-methylstyrene;alpha-methylstyrol

Chemical Property of alpha-Methylstyrene

Chemical Property:

• Appearance/Colour: clear to yellow liquid
• Melting Point: -24 °C(lit.)
• Refractive Index: n20/D 1.539
• Boiling Point: 162.5 °C at 760 mmHg
• Flash Point: 45.556 °C
• PSA: 0.00000
• Density: 0.874 g/cm³
• LogP: 2.71970
• Water Solubility.: insoluble
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 118.078250319
• Heavy Atom Count: 9
• Complexity: 96.6
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi:Irritant;; <
• Statements: R10:; R36/37:; R51/53:
• Safety Statements: S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Styrenes
• Canonical SMILES: CC(=C)C1=CC=CC=C1
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. Lachrymation.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis.

Technology Process of alpha-Methylstyrene

There total 524 articles about alpha-Methylstyrene 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: 93.0%

2,3-diphenyl-2-methylpropan-3-one oxime (5682-41-7) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + benzonitrile (100-47-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6)

Guidance literature:

at 800 ℃; under 0.001 - 0.01 Torr; approximate contact time: 0.002-0.03 s;

Reference yield: 57.0%

dimethylsulfone (67-71-0) + 1-Phenylethanol (98-85-1,13323-81-4) → hydrogen (1333-74-0) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6)

Guidance literature:

With 1,10-Phenanthroline; potassium tert-butylate; iron(II) chloride; In toluene; at 120 ℃; for 8h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.0c01173

Reference yield: 46.0%

3,5-diphenyl-3-methyl-1,2-dioxolane (78485-08-2) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + (±)-1,3-diphenylbut-3-en-1-ol (125315-69-7) + benzaldehyde (100-52-7) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6)

Guidance literature:

With triphenylphosphine; In benzene; at 60 ℃; for 8h;

DOI:10.1021/jo961444+

upstream raw materials:

acetophenone

Methylenetriphenylphosphorane

Isopropylbenzene

tert-butylbenzene

Downstream raw materials:

1-(3-phenylbut-3-en-1-yl)pyrrolidine

4-(3-phenylbut-3-en-1-yl)morpholine

ethyl 2-methyl-2-phenylcyclopropane-1-carboxylate

3,5-diphenyl-5-methyl-4,5-dihydroisoxazole

Refernces

The Reaction of Olefins with Malonic Acid in the Presence of Manganese(III) Acetate

10.1246/bcsj.56.3527

The research investigates the reaction of various olefins with malonic acid in the presence of manganese(III) acetate (MA) to synthesize substituted 2,7-dioxaspiro[4.4]nonane-1,6-diones and other related compounds. The purpose is to develop a convenient one-step synthesis method for these compounds, which have potential applications in organic chemistry. Key chemicals used include olefins such as 1,1-diphenylethene, 1,1-bis(4-methoxyphenyl)ethene, methylenecyclohexane, 2-phenylpropene, styrene, 1-octene, and cyclohexene, along with malonic acid and manganese(III) acetate. The reactions were carried out in acetic acid, and the products were characterized using techniques like IR spectroscopy, H-NMR spectroscopy, and HPLC. The study concludes that this method provides a straightforward and efficient route to synthesize the target compounds, with yields ranging from 3% to 84% depending on the specific olefin used. The configurations of the products were determined based on H-NMR spectral analyses, and the results showed that the reaction outcomes varied significantly depending on the substituents on the olefins.

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