1-Isopropenyl-3-isopropylbenzene

Base Information

• Chemical Name: 1-Isopropenyl-3-isopropylbenzene
• CAS No.: 1129-29-9
• Molecular Formula: C₁₂H₁₆
• Molecular Weight: 160.259
• DSSTox Substance ID: DTXSID50150201
• Nikkaji Number: J24.278K
• Wikidata: Q27160460
• Mol file: 1129-29-9.mol

Synonyms:1-Isopropenyl-3-isopropylbenzene;1129-29-9;1-propan-2-yl-3-prop-1-en-2-ylbenzene;m-isopropenylcumene;1-ISO-PROPENYL-3-ISO-PROPYLBENZENE;Styrene, m-isopropyl-.alpha.-methyl-;Benzene, 1-(1-methylethenyl)-3-(1-methylethyl)-;1-(1-methylethenyl)-3-(1-methylethyl)-benzene;CHEBI:88570;DTXSID50150201;m-Isopropyl-.alpha.-methylstyrene;AKOS006272943;1-(prop-1-en-2-yl)-3-(propan-2-yl)benzene;Q27160460

Chemical Property of 1-Isopropenyl-3-isopropylbenzene

Chemical Property:

• Vapor Pressure: 0.172mmHg at 25°C
• Boiling Point: 219.9°Cat760mmHg
• Flash Point: 80.2°C
• PSA: 0.00000
• Density: 0.864g/cm³
• LogP: 3.84310
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 160.125200510
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Isopropenyl-3-isopropylbenzene

There total 3 articles about 1-Isopropenyl-3-isopropylbenzene 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: 9.0%

C19H23N2O2S(1-)*Na(1+) → 1,3-diisopropylbenzene (99-62-7) + 1-isopropyl-3-(prop-1-en-2-yl)benzene (1129-29-9) + 8-isopropyliden-4-methyl-anti-tricyclo<3.3.0.02,4>oct-6-en

Guidance literature:

at 110 - 130 ℃; for 4h; under 0.01 Torr;

DOI:10.1002/hlca.19840670525

Reference yield: 2.0%

→ 1,3-bis(1-methylethenyl)-benzene (3748-13-8) + 1-isopropyl-3-(prop-1-en-2-yl)benzene (1129-29-9)

Guidance literature:

Reference yield:

1,3-diisopropylbenzene (99-62-7) → 1-isopropyl-3-(prop-1-en-2-yl)benzene (1129-29-9)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In chlorobenzene; at 120 ℃; for 6h; Sealed tube; Inert atmosphere;

DOI:10.1002/chem.201701535

upstream raw materials:

1,3-diisopropylbenzene

Refernces

• 1、 Manna, Srimanta,Antonchick, Andrey P.. "A Metal-Free Oxidative Dehydrogenative Diels–Alder Reaction for Selective Functionalization of Alkylbenzenes". supporting information. p. 7825 - 7829. Retrieved 2017/06/06.