1-Cyano-2-hydroxy-3-butene

Base Information

Chemical Name:1-Cyano-2-hydroxy-3-butene
CAS No.:27451-36-1
Molecular Formula:C5H7 N O
Molecular Weight:97.1167
Hs Code.:2926909090
European Community (EC) Number:827-594-1
NSC Number:321802
DSSTox Substance ID:DTXSID20950134
Nikkaji Number:J100.662B
Wikidata:Q82928122
Metabolomics Workbench ID:44834
ChEMBL ID:CHEMBL1697705
Mol file:27451-36-1.mol

Synonyms:1-cyano-2-hydroxy-3-butene;crambene

Suppliers and Price of 1-Cyano-2-hydroxy-3-butene

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
1-Cyano-2-hydroxy-3-butene
5mg
$ 60.00

TRC
1-Cyano-2-hydroxy-3-butene
25mg
$ 200.00

Biosynth Carbosynth
1-Cyano-2-hydroxy-3-butene
50 mg
$ 195.00

Biosynth Carbosynth
1-Cyano-2-hydroxy-3-butene
25 mg
$ 115.00

Biosynth Carbosynth
1-Cyano-2-hydroxy-3-butene
10 mg
$ 65.00

Biosynth Carbosynth
1-Cyano-2-hydroxy-3-butene
100 mg
$ 350.00

Biosynth Carbosynth
1-Cyano-2-hydroxy-3-butene
250 mg
$ 675.00

American Custom Chemicals Corporation
1-CYANO-2-HYDROXY-3-BUTENE 95.00%
5MG
$ 498.70

Total 12 raw suppliers

Chemical Property of 1-Cyano-2-hydroxy-3-butene

Chemical Property:

Vapor Pressure:0.004mmHg at 25°C
Boiling Point:247°Cat760mmHg
PKA:13.07±0.20(Predicted)
Flash Point:103.2°C
PSA：44.02000
Density:0.996g/cm³
LogP:0.44698
Storage Temp.:Refrigerator
Solubility.:Chloroform (Sparingly), Methanol (Slightly)
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:97.052763847
Heavy Atom Count:7
Complexity:99.9

Purity/Quality:

97% ^*data from raw suppliers

1-Cyano-2-hydroxy-3-butene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CC(CC#N)O

Technology Process of 1-Cyano-2-hydroxy-3-butene

There total 7 articles about 1-Cyano-2-hydroxy-3-butene 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: 79.0%

: (R)-5-((4-methoxybenzyl)oxy)hept-6-enenitrile

: 6071-81-4,27451-36-1,7451-85-6
(R)-3-hydroxy-4-pentenenitrile

Guidance literature:: With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; water; at 0 - 20 ℃; for 3h; enantioselective reaction;
DOI:10.1002/anie.201603538

Reference yield:

: progoitrin

: 500-12-9,1072-93-1,13190-34-6,13997-13-2
DL-5-vinyloxazolidine-2-thione (goitrin)

: 27451-36-1
(RS)-3-hydroxypent-4-enenitrile

Guidance literature:: With acetate buffer; ascorbic acid; at 25 ℃; for 1h; Product distribution; Brassica napus thioglucosidase at pH 5.7; effect of metal ions investigated;
DOI:10.1016/S0031-9422(00)84763-9

Reference yield:

: 27451-36-1
(RS)-3-hydroxypent-4-enenitrile

: 6071-81-4
(2S)-1-cyano-2-hydroxy-3-butene

: 6071-81-4,27451-36-1,7451-85-6
(R)-3-hydroxy-4-pentenenitrile

: 38996-05-3
(S)-3-hydroxy-4-pentenoic acid

: 38996-04-2
(R)-3-hydroxy-4-pentenoic acid

Guidance literature:: With Rhodococcus erythropolis SET₁ cells; In aq. phosphate buffer; at 25 ℃; for 48h; pH=7; enantioselective reaction; Microbiological reaction;
DOI:10.1002/ejoc.201403201