m-Cyclohexen-1-yltoluene

Base Information

Chemical Name:m-Cyclohexen-1-yltoluene
CAS No.:22618-50-4
Molecular Formula:C13H16
Molecular Weight:172.27
Hs Code.:2902909090
European Community (EC) Number:245-130-0
NSC Number:102327
UNII:Y2O6GB00O9
DSSTox Substance ID:DTXSID70177137
Nikkaji Number:J286.261A
Wikidata:Q83047443
Mol file:22618-50-4.mol

Synonyms:m-Cyclohexen-1-yltoluene;22618-50-4;1-(cyclohexen-1-yl)-3-methylbenzene;1-(cyclohex-1-en-1-yl)-3-methylbenzene;Benzene,1-(1-cyclohexen-1-yl)-3-methyl-;EINECS 245-130-0;3'-Methyl-2,3,4,5-tetrahydro-1,1'-biphenyl;1-(1-Cyclohexen-1-yl)-3-methylbenzene;Y2O6GB00O9;NSC-102327;NSC102327;NCIOpen2_001910;UNII-Y2O6GB00O9;AMY6056;DTXSID70177137;AKOS024323075;NSC 102327;Benzene, 1-(1-cyclohexen-1-yl)-3-methyl-;CS-0069737;EN300-1586318

Suppliers and Price of m-Cyclohexen-1-yltoluene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
1-(M-TOLYL)-1-CYCLOHEXENE Aldrich
250mg
$ 144.00

Total 14 raw suppliers

Chemical Property of m-Cyclohexen-1-yltoluene

Chemical Property:

Vapor Pressure:0.0152mmHg at 25°C
Boiling Point:265.3°Cat760mmHg
Flash Point:110°C
PSA：0.00000
Density:0.966g/cm³
LogP:3.95240
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:172.125200510
Heavy Atom Count:13
Complexity:190

Purity/Quality:

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

1-(M-TOLYL)-1-CYCLOHEXENE Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC=C1)C2=CCCCC2

Technology Process of m-Cyclohexen-1-yltoluene

There total 9 articles about m-Cyclohexen-1-yltoluene 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: 72.0%

: 6957-08-0
1-(m-Methylphenyl)cyclohexanol

: 22618-50-4
3'-methyl-2,3,4,5-tetrahydro-1,1'-biphenyl

Guidance literature:: With acetic acid; at 118 ℃; for 1h;
DOI:10.1021/ja4100595

Reference yield:

: 28075-50-5
cyclohex-1-en-1-yl trifluoromethane sulfonate

: 17933-03-8
m-tolylboronic acid

: 22618-50-4
3'-methyl-2,3,4,5-tetrahydro-1,1'-biphenyl

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In tetrahydrofuran; water; at 70 ℃; for 2h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.1c01375

Reference yield:

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 22618-50-4
3'-methyl-2,3,4,5-tetrahydro-1,1'-biphenyl

Guidance literature:: Multi-step reaction with 2 steps

1.1: magnesium; iodine / diethyl ether / 0.5 h / 0 - 20 °C / Inert atmosphere

1.2: 20 °C / Inert atmosphere

2.1: acetic acid / 1 h / 118 °C

With iodine; magnesium; acetic acid; In diethyl ether;
DOI:10.1021/ja4100595