(1R,2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-3-oxocyclohexane-1-carbonitrile

Base Information

Chemical Name:(1R,2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-3-oxocyclohexane-1-carbonitrile
CAS No.:137588-59-1
Molecular Formula:C11H17 N O2
Molecular Weight:195.26
Hs Code.:
DSSTox Substance ID:DTXSID90566160
Nikkaji Number:J600.543H
Wikidata:Q82451637
Mol file:137588-59-1.mol

Synonyms:137588-59-1;(-)-(5R,3R,2R)-5-(1-Hydroxy-1-methylethyl)-3-cyano-2-methylcylohexanone;(1R,2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-3-oxocyclohexane-1-carbonitrile;DTXSID90566160;AKOS006286098

Suppliers and Price of (1R,2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-3-oxocyclohexane-1-carbonitrile

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

American Custom Chemicals Corporation
(-)-(5R,3R,2R)-5-(1-HYDROXY-1-METHYLETHYL)-3-CYANO-2-METHYLCYLOHEXANONE 95.00%
5MG
$ 505.70

AccelPharmtech
(1R,2R,5R)-5-(1-hydroxy-1-methylethyl)-2-methyl-3-oxo-Cyclohexanecarbonitrile 97.00%
25G
$ 4320.00

AccelPharmtech
(1R,2R,5R)-5-(1-hydroxy-1-methylethyl)-2-methyl-3-oxo-Cyclohexanecarbonitrile 97.00%
5G
$ 2330.00

AccelPharmtech
(1R,2R,5R)-5-(1-hydroxy-1-methylethyl)-2-methyl-3-oxo-Cyclohexanecarbonitrile 97.00%
1G
$ 2070.00

Total 7 raw suppliers

Chemical Property of (1R,2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-3-oxocyclohexane-1-carbonitrile

Chemical Property:

Vapor Pressure:2.38E-06mmHg at 25°C
Boiling Point:351.7°Cat760mmHg
PKA:14.90±0.29(Predicted)
Flash Point:166.5°C
PSA：61.09000
Density:1.07g/cm³
LogP:1.51228
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:195.125928785
Heavy Atom Count:14
Complexity:287

Purity/Quality:

99% ^*data from raw suppliers

(-)-(5R,3R,2R)-5-(1-HYDROXY-1-METHYLETHYL)-3-CYANO-2-METHYLCYLOHEXANONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(CC(CC1=O)C(C)(C)O)C#N
Isomeric SMILES:C[C@@H]1[C@@H](C[C@H](CC1=O)C(C)(C)O)C#N

Technology Process of (1R,2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-3-oxocyclohexane-1-carbonitrile

There total 3 articles about (1R,2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-3-oxocyclohexane-1-carbonitrile 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: 94.0%

: (2'R)-(+)-1-<(1R,3R,4R,5R)-3-Cyan-4,7,7-trimethyl-6-oxabicyclo<3.2.1>oct-5-yl>aziridin-2'-carbonsaeureamid

: 67413-30-3
(S)-Aziridin-2-carbonsaeureamid

: 137588-59-1
(-)-(1R,2R,5R)-2-methyl-5-(1-hydroxy-1-methylethyl)-3-oxocyclohexanecarbonitrile

: (R)-Aziridin-2-carbonsaeureamid

Guidance literature:: With acetic acid; In ethanol; water; for 24h; Yield given. Title compound not separated from byproducts; Ambient temperature;