5-Isopropenyl-2-methyl-1-(N-(2-phenylcyclohexyloxycarbonyl)amino)-2-cyclohexene

Base Information

Chemical Name:5-Isopropenyl-2-methyl-1-(N-(2-phenylcyclohexyloxycarbonyl)amino)-2-cyclohexene
CAS No.:132646-18-5
Molecular Formula:C23H31 N O2
Molecular Weight:353.505
Hs Code.:
DSSTox Substance ID:DTXSID20927760
Wikidata:Q82902419
Mol file:132646-18-5.mol

Synonyms:5-IMPAC;5-isopropenyl-2-methyl-1-(N-(2-phenylcyclohexyloxycarbonyl)amino)-2-cyclohexene

Suppliers and Price of 5-Isopropenyl-2-methyl-1-(N-(2-phenylcyclohexyloxycarbonyl)amino)-2-cyclohexene

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

Total 2 raw suppliers

Chemical Property of 5-Isopropenyl-2-methyl-1-(N-(2-phenylcyclohexyloxycarbonyl)amino)-2-cyclohexene

Chemical Property:

Vapor Pressure:8.26E-10mmHg at 25°C
Boiling Point:491.6°Cat760mmHg
Flash Point:251.1°C
PSA：41.82000
Density:1.06g/cm³
LogP:5.94440
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:353.235479232
Heavy Atom Count:26
Complexity:532

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCC(CC1NC(=O)OC2CCCCC2C3=CC=CC=C3)C(=C)C
Isomeric SMILES:CC1=CC[C@@H](C[C@H]1NC(=O)O[C@@H]2CCCC[C@H]2C3=CC=CC=C3)C(=C)C

Technology Process of 5-Isopropenyl-2-methyl-1-(N-(2-phenylcyclohexyloxycarbonyl)amino)-2-cyclohexene

There total 4 articles about 5-Isopropenyl-2-methyl-1-(N-(2-phenylcyclohexyloxycarbonyl)amino)-2-cyclohexene 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: 96.0%

: C₂₆H₃₉NO₃SSi

: 132646-18-5
1-carbonyl>amino>-2-methyl-5-isopropenylcyclohexene

Guidance literature:: With lithium hydroxide; water; In tetrahydrofuran; methanol; for 3h; Ambient temperature;
DOI:10.1021/ja00009a045

Reference yield:

: 107575-41-7,130060-02-5
N-sulfinylcarbamate of trans-2-phenylcyclohexanol

: 132646-18-5
1-carbonyl>amino>-2-methyl-5-isopropenylcyclohexene

Guidance literature:: Multi-step reaction with 3 steps

1: SnCl₄ / CH₂Cl₂ / 0.33 h / -78 °C

2: 100 percent / 1,2-dichloro-ethane / 1.) RT, 90 min, 2.) 50 deg C, 90 min, 3.) reflux, overnight

3: 96 percent / LiOH, H₂O / tetrahydrofuran; methanol / 3 h / Ambient temperature

With lithium hydroxide; water; tin(IV) chloride; In tetrahydrofuran; methanol; dichloromethane; 1,2-dichloro-ethane;
DOI:10.1021/ja00009a045

Reference yield:

: 132746-33-9
carbamic acid (1R,2S)-2-phenylcyclohex-1-yl ester

: 132646-18-5
1-carbonyl>amino>-2-methyl-5-isopropenylcyclohexene

Guidance literature:: Multi-step reaction with 4 steps

1: SOCl₂, pyridine / 14.25 h / Ambient temperature

2: SnCl₄ / CH₂Cl₂ / 0.33 h / -78 °C

3: 100 percent / 1,2-dichloro-ethane / 1.) RT, 90 min, 2.) 50 deg C, 90 min, 3.) reflux, overnight

4: 96 percent / LiOH, H₂O / tetrahydrofuran; methanol / 3 h / Ambient temperature

With pyridine; lithium hydroxide; thionyl chloride; water; tin(IV) chloride; In tetrahydrofuran; methanol; dichloromethane; 1,2-dichloro-ethane;
DOI:10.1021/ja00009a045