3-(Oxiran-2-yl)-2-phenylpropanenitrile

Base Information

Chemical Name:3-(Oxiran-2-yl)-2-phenylpropanenitrile
CAS No.:60788-53-6
Molecular Formula:C11H11NO
Molecular Weight:173.21114
Hs Code.:
DSSTox Substance ID:DTXSID80579643
Mol file:60788-53-6.mol

Synonyms:60788-53-6;3-(oxiran-2-yl)-2-phenylpropanenitrile;ALPHA-PHENYLOXIRANEPROPANENITRILE;|A-Phenyloxiranepropanenitrile;starbld0003313;DTXSID80579643;a-Phenyloxiranepropanenitrile (mixture of diastereomers)

Suppliers and Price of 3-(Oxiran-2-yl)-2-phenylpropanenitrile

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

TRC
α-Phenyloxiranepropanenitrile(mixtureofdiastereomers)
50mg
$ 150.00

Medical Isotopes, Inc.
α-Phenyloxiranepropanenitrile
1 g
$ 650.00

Total 1 raw suppliers

Chemical Property of 3-(Oxiran-2-yl)-2-phenylpropanenitrile

Chemical Property:

PSA：36.32000
LogP:2.08268
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly)
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:173.084063974
Heavy Atom Count:13
Complexity:211

Purity/Quality:: α-Phenyloxiranepropanenitrile(mixtureofdiastereomers) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(O1)CC(C#N)C2=CC=CC=C2
Uses α-Phenyloxiranepropanenitrile is used in the preparation of CC-1065 and its analogs.

Technology Process of 3-(Oxiran-2-yl)-2-phenylpropanenitrile

There total 2 articles about 3-(Oxiran-2-yl)-2-phenylpropanenitrile 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: 78.0%

: 5558-87-2
2-phenylpent-4-enenitrile

: 60788-53-6
3-Oxiranyl-2-phenyl-propionitrile

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 20 ℃; for 16h;

Reference yield:

: 140-29-4
phenylacetonitrile

: 60788-53-6
3-Oxiranyl-2-phenyl-propionitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) BuLi / 1.) THF

2: 78 percent / m-chloroperbenzoic acid / CHCl₃ / 16 h / 20 °C

With n-butyllithium; 3-chloro-benzenecarboperoxoic acid; In chloroform;