(S)-4-Hydroxymandelonitrile

Base Information

Chemical Name:(S)-4-Hydroxymandelonitrile
CAS No.:71807-09-5
Molecular Formula:C8H7NO2
Molecular Weight:149.15
Hs Code.:
UNII:9BAR4IH1OD
Nikkaji Number:J231.681A
Wikidata:Q27094357
Metabolomics Workbench ID:50587
Mol file:71807-09-5.mol

Synonyms:(S)-4-Hydroxymandelonitrile;(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE;4-Hydroxy-L-mandelonitrile;71807-09-5;(2S)-2-hydroxy-2-(4-hydroxyphenyl)acetonitrile;9BAR4IH1OD;(2S)-hydroxy(4-hydroxyphenyl)acetonitrile;UNII-9BAR4IH1OD;Benzeneacetonitrile, alpha,4-dihydroxy-, (S)-;SCHEMBL4319988;CHEBI:16660;AKOS006307710;DB03430;C03742;Q27094357;BENZENEACETONITRILE, .ALPHA.,4-DIHYDROXY-, (S)-

Suppliers and Price of (S)-4-Hydroxymandelonitrile

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
(S)-4-HYDROXYMANDELONITRILE 95.00%
5MG
$ 499.60

Total 9 raw suppliers

Chemical Property of (S)-4-Hydroxymandelonitrile

Chemical Property:

Boiling Point:366.0±27.0 °C(Predicted)
PKA:9.35±0.26(Predicted)
PSA：64.25000
Density:1.327±0.06 g/cm3(Predicted)
LogP:0.94918
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:149.047678466
Heavy Atom Count:11
Complexity:164

Purity/Quality:

98%min ^*data from raw suppliers

(S)-4-HYDROXYMANDELONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(C#N)O)O
Isomeric SMILES:C1=CC(=CC=C1[C@@H](C#N)O)O

Technology Process of (S)-4-Hydroxymandelonitrile

There total 4 articles about (S)-4-Hydroxymandelonitrile 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: 87.0%

: 74-90-8
hydrogen cyanide

: 123-08-0,65581-83-1
4-hydroxy-benzaldehyde

: 71807-09-5
(S)-2-hydroxy-2-(4-hydroxyphenyl) acetonitrile

Guidance literature:: In water; at 20 ℃; for 0.416667h; (S)-Oxynitrilase, Natriumcitratpuffer pH 3.75;

Reference yield:

: potassium cyanide

: 123-08-0,65581-83-1
4-hydroxy-benzaldehyde

: 71807-09-5
(S)-2-hydroxy-2-(4-hydroxyphenyl) acetonitrile

: 77943-99-8
(R)-2-(4-hydroxyphenyl)-2-hydroxyacetonitrile

Guidance literature:: With hydroxynitrile lyase immobilized Baliospermum montanum; In aq. buffer; for 0.333333h; pH=4.2; enantioselective reaction; Enzymatic reaction;
DOI:10.1016/j.bioorg.2018.11.017

Reference yield:

: 74-90-8
hydrogen cyanide

: 123-08-0,65581-83-1
4-hydroxy-benzaldehyde

: 71807-09-5
(S)-2-hydroxy-2-(4-hydroxyphenyl) acetonitrile

: 77943-99-8
(R)-2-(4-hydroxyphenyl)-2-hydroxyacetonitrile

Guidance literature:: With tartrate buffer; In di-isopropyl ether; at 5 ℃; for 68h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; apple meal (R)-oxynitrilase;
DOI:10.1016/S0957-4166(97)00080-3