1-Methyl-4-(prop-1-en-2-yl)benzene

Base Information

• Chemical Name: 1-Methyl-4-(prop-1-en-2-yl)benzene
• CAS No.: 1195-32-0
• Molecular Formula: C10H12
• Molecular Weight: 132.205
• Hs Code.: 29029090
• European Community (EC) Number: 214-795-9
• NSC Number: 361058
• UNII: XC8HY3OB86
• DSSTox Substance ID: DTXSID7047564
• Nikkaji Number: J86.000J
• Wikidata: Q27162104
• Metabolomics Workbench ID: 43952
• Mol file: 1195-32-0.mol

Synonyms:4-isopropenyltoluene

Chemical Property of 1-Methyl-4-(prop-1-en-2-yl)benzene

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.834mmHg at 25°C
• Melting Point: -28 °C
• Refractive Index: n20/D 1.535(lit.)
• Boiling Point: 188.3 °C at 760 mmHg
• Flash Point: 59.4 °C
• PSA: 0.00000
• Density: 0.872 g/cm³
• LogP: 3.02810
• Storage Temp.: Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• 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:

98% ^*data from raw suppliers

1-Methyl-4-prop-1-en-2-ylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=C)C

Technology Process of 1-Methyl-4-(prop-1-en-2-yl)benzene

There total 129 articles about 1-Methyl-4-(prop-1-en-2-yl)benzene 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: 57.0%

D-limonene (5989-27-5,555-08-8,8022-90-0,9003-73-0,95327-98-3) → 1-methyl-4-isopropenylbenzene (1195-32-0) + Terpinolene (586-62-9,69073-38-7) + 1-methyl-4-isopropyl-1,3-cyclohexadiene (99-86-5)

Guidance literature:

With 2,6-di-tert-butyl-pyridine; palladium(II) trifluoroacetate; copper dichloride; In N,N-dimethyl-formamide; at 80 ℃; for 40h; Inert atmosphere; Molecular sieve;

DOI:10.1039/c4ra11558a

Reference yield: 11.0%

D-limonene (5989-27-5,555-08-8,8022-90-0,9003-73-0,95327-98-3) → 1-methyl-4-isopropenylbenzene (1195-32-0) + Terpinolene (586-62-9,69073-38-7)

Guidance literature:

With palladium(II) trifluoroacetate; copper dichloride; In N,N-dimethyl-formamide; at 80 ℃; for 40h; Inert atmosphere; Molecular sieve;

DOI:10.1039/c4ra11558a

Reference yield: 10.0%

D-limonene (5989-27-5,555-08-8,8022-90-0,9003-73-0,95327-98-3) → 1-methyl-4-isopropenylbenzene (1195-32-0) + Terpinolene (586-62-9,69073-38-7) + 1-methyl-4-isopropyl-1,3-cyclohexadiene (99-86-5) + 4-methylisopropylbenzene (99-87-6) + crithmene (99-85-4)

Guidance literature:

With 2,6-di-tert-butyl-pyridine; palladium(II) trifluoroacetate; copper dichloride; In N,N-dimethyl-formamide; at 80 ℃; for 40h; Inert atmosphere;

DOI:10.1039/c4ra11558a

upstream raw materials:

methyl magnesium iodide

diethyl ether

4-methylbenzoic acid ethyl ester

p-cymene-8-ol

Downstream raw materials:

4-(3-p-tolyl-but-3-enyl)-morpholine

1,1,2,3,3,6-hexamethyl-1H-indane

3-ethyl-1,1,3,5-tetramethyl-indan

4-(4-methylphenyl)-1,2,3,6-tetrahydropyridine