3-(2-Chlorophenyl)-2-methyl-1-propene

Base Information

• Chemical Name: 3-(2-Chlorophenyl)-2-methyl-1-propene
• CAS No.: 90794-46-0
• Molecular Formula: C10H11Cl
• Molecular Weight: 166.65
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID20438487
• Nikkaji Number: J3.527.768D
• Wikidata: Q82254247
• Mol file: 90794-46-0.mol

Synonyms:3-(2-chlorophenyl)-2-methyl-1-propene;90794-46-0;1-chloro-2-(2-methylprop-2-enyl)benzene;2-(2-Methylprop-2-en-1-yl)chlorobenzene;MFCD00671895;1-chloro-2-(2-methylprop-2-en-1-yl)benzene;SCHEMBL13689952;DTXSID20438487;AKOS016016666;2-Methyl-3-(2-chlorophenyl)-1-propene;J3.527.768D

Chemical Property of 3-(2-Chlorophenyl)-2-methyl-1-propene

Chemical Property:

• Vapor Pressure: 0.219mmHg at 25°C
• Boiling Point: 215.16oC at 760 mmHg
• Flash Point: 84.94oC
• PSA: 0.00000
• Density: 1.028g/cm3
• LogP: 3.45860
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 166.0549280
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

95% ^*data from raw suppliers

3-(2-chlorophenyl)-2-methyl-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CC1=CC=CC=C1Cl

Technology Process of 3-(2-Chlorophenyl)-2-methyl-1-propene

There total 2 articles about 3-(2-Chlorophenyl)-2-methyl-1-propene 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: 61.0%

2-Chlorobenzeneboronic acid (3900-89-8) + 3-hydroxy-2-methyl-1-propene (513-42-8) → 1-Chloro-2-(2-methyl-2-propenyl)benzene (90794-46-0)

Guidance literature:

With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; at 100 ℃; for 12h; Temperature; Time;

DOI:10.3390/molecules201219886

Reference yield:

2-bromo-1-chlorobenzene (694-80-4) + 3-Chloro-2-methylpropene (563-47-3) → 1-Chloro-2-(2-methyl-2-propenyl)benzene (90794-46-0)

Guidance literature:

Multistep reaction; (i) Mg, (ii) /BRN= 878160/;

Reference yield:

1-Chloro-2-(2-methyl-2-propenyl)benzene (90794-46-0) + sodium cyanide (143-33-9,25596-52-5) → N-Formyl-1.1-dimethyl-2-<2-chlor-phenyl>-aethylamin (91131-11-2)

Guidance literature:

With sulfuric acid; In acetic acid;

DOI:10.1016/0960-894X(96)00181-3

upstream raw materials:

2-bromo-1-chlorobenzene

3-Chloro-2-methylpropene

2-Chlorobenzeneboronic acid

3-hydroxy-2-methyl-1-propene

Downstream raw materials:

4-Oxo-4-<2-(2-methyl-2-propenyl)phenyl>butanoic acid

N-Formyl-1.1-dimethyl-2-<2-chlor-phenyl>-aethylamin

5-Diazo-1-<2-(2-methyl-2-propenyl)phenyl>-2,4-pentanedione

Methyl 4-oxo-4-<2-(2-methyl-2-propenyl)phenyl>butanoate

Refernces

• 1、 Bernotas, Ronald C.,Thomas, Craig E.,Carr, Albert A.,Nieduzak, Thaddeus R.,Adams, Ginette,Ohlweiler, David F.,Hay, David A.. "Synthesis and radical scavenging activity of 3,3-dialkyl-3,4-dihydro-isoquinoline 2-oxides". . p. 1105 - 1110. Retrieved 2007/10/03.