4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile

Base Information

Chemical Name:4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile
CAS No.:10469-27-9
Molecular Formula:C12H15 N O2
Molecular Weight:205.257
Hs Code.:2926909090
European Community (EC) Number:233-958-5
NSC Number:211412
UNII:4UDK632LSJ
DSSTox Substance ID:DTXSID60146650
Nikkaji Number:J212.410F
Wikidata:Q83011499
Mol file:10469-27-9.mol

Synonyms:10469-27-9;4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile;4-hydroxy-2-(2-hydroxyethyl)-2-phenylbutanenitrile;EINECS 233-958-5;4UDK632LSJ;NSC-211412;NSC211412;UNII-4UDK632LSJ;SCHEMBL16136803;DTXSID60146650;NSC 211412;alpha,alpha-Bis(2-hydroxyethyl)benzeneacetonitrile;.ALPHA.,.ALPHA.-BIS(2-HYDROXYETHYL)BENZENEACETONITRILE;BENZENEACETONITRILE, .ALPHA.,.ALPHA.-BIS(2-HYDROXYETHYL)-

Suppliers and Price of 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile

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 9 raw suppliers

Chemical Property of 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile

Chemical Property:

Vapor Pressure:4.85E-09mmHg at 25°C
Boiling Point:454.2°Cat760mmHg
Flash Point:228.5°C
PSA：64.25000
Density:1.156g/cm³
LogP:1.21278
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:205.110278721
Heavy Atom Count:15
Complexity:219

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(CCO)(CCO)C#N

Technology Process of 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile

There total 5 articles about 4-Hydroxy-2-(2-hydroxyethyl)-2-phenylbutyronitrile 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:

: 75-21-8,99932-75-9
oxirane

: 140-29-4
phenylacetonitrile

: 75354-98-2
2-Imino-3-phenyl-3-(2-hydroxyethyl)tetrahydrofuran

: 10469-27-9
α,α-bis(2-hydroxyethyl)phenylacetonitrile

Guidance literature:: phenylacetonitrile; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -30 ℃; for 0.5h; Inert atmosphere;

oxirane; In tetrahydrofuran; at -30 - 0 ℃; for 1.5h; Overall yield = 58 percent; Inert atmosphere;

Reference yield:

: 70179-05-4
2-phenyl-4-vinyloxy-2-(2-vinyloxy-ethyl)-butyronitrile

: 10469-27-9
α,α-bis(2-hydroxyethyl)phenylacetonitrile

Guidance literature:: With hydrogenchloride;

Reference yield:

: 140-29-4
phenylacetonitrile

: 10469-27-9
α,α-bis(2-hydroxyethyl)phenylacetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: sodium amide; benzene

2: aqueous hydrochloric acid

With hydrogenchloride; sodium amide; benzene;