Oxiraneacetonitrile

Base Information

• Chemical Name: Oxiraneacetonitrile
• CAS No.: 624-58-8
• Molecular Formula: C4H5NO
• Molecular Weight: 83.0886
• Hs Code.: 2926909090
• NSC Number: 26906
• UNII: 6DWB6S23NG
• DSSTox Substance ID: DTXSID50983637
• Nikkaji Number: J134.579F
• Mol file: 624-58-8.mol

Synonyms:Oxiraneacetonitrile;2-(oxiran-2-yl)acetonitrile;Epicyanohydrin;624-58-8;1,2-Epoxybutyronitrile;BUTYRONITRILE, 3,4-EPOXY-;3,4-Epoxybutyronitrile;1,2-Epoxy-3-cyanopropane;6DWB6S23NG;NSC-26906;BRN 0080280;6509-08-6;oxiranylacetonitrile;NSC26906;Butyronitrile,4-epoxy-;(Oxiran-2-yl)acetonitrile;UNII-6DWB6S23NG;2-OXIRANEACETONITRILE;DTXSID50983637;NSC 26906;LS-48254;EN300-100631;5-18-06-00009 (Beilstein Handbook Reference)

Chemical Property of Oxiraneacetonitrile

Chemical Property:

• Vapor Pressure: 0.359mmHg at 25°C
• Boiling Point: 198.5°Cat760mmHg
• Flash Point: 80.1°C
• PSA: 36.32000
• Density: 1.104g/cm³
• LogP: 0.29888
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 83.037113783
• Heavy Atom Count: 6
• Complexity: 91

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)CC#N

Technology Process of Oxiraneacetonitrile

There total 4 articles about Oxiraneacetonitrile 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: 79.4%

but-3-enenitrile (109-75-1) → 3,4-epoxybutanenitrile (624-58-8)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 168h;

Reference yield:

epichlorohydrin (106-89-8,24969-06-0,13403-37-7) + potassium hexacyanoferrate(III) → 3,4-epoxybutanenitrile (624-58-8)

Guidance literature:

With iodine; triethylamine; In N,N-dimethyl-formamide; at 75 ℃; for 8h;

Reference yield:

4-chloro-3-hydroxybutyronitrile (105-33-9,637-75-2) → 3,4-epoxybutanenitrile (624-58-8)

Guidance literature:

With silver(l) oxide; In 1,2-dimethoxyethane;

DOI:10.1021/jo01287a038

upstream raw materials:

4-chloro-3-hydroxybutyronitrile

but-3-enenitrile

epichlorohydrin

Downstream raw materials:

3-hydroxyglutaronitrile

Refernces

• 1、 -. "PROCESSES FOR THE SYNTHESIS OF 3-HYDROXYGLUTARONITRILE". Page/Page column 14. . Retrieved 2009/04/25.
• 2、 Fleming,Wang,Steward. "Hydroxylated α,β-unsaturated nitriles: Stereoselective synthesis". . p. 2171 - 2174. Retrieved 2007/10/03.