Nitrous acid, 3-butenyl ester

Base Information

• Chemical Name: Nitrous acid, 3-butenyl ester
• CAS No.: 67428-02-8
• Molecular Formula: C4H7NO2
• Molecular Weight: 101.1039
• DSSTox Substance ID: DTXSID00217772
• Wikidata: Q83094418
• Mol file: 67428-02-8.mol

Synonyms:Nitrous acid, 3-butenyl ester;67428-02-8;CH2=CHCH2CH2ONO;DTXSID00217772

Chemical Property of Nitrous acid, 3-butenyl ester

Chemical Property:

• Vapor Pressure: 99.7mmHg at 25°C
• Boiling Point: 79.1°Cat760mmHg
• Flash Point: °C
• PSA: 38.66000
• Density: 0.97g/cm³
• LogP: 1.26050
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 101.047678466
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCON=O

Technology Process of Nitrous acid, 3-butenyl ester

There total 2 articles about Nitrous acid, 3-butenyl ester 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:

1-bromo-4-butene (5162-44-7) → 4-nitrobut-1-ene (32349-29-4) + 1-Nitroso-3-buten (67428-02-8)

Guidance literature:

With silver(I) nitrite; In dichloromethane; for 96h;

DOI:10.1021/jo00966a047

Reference yield:

homoalylic alcohol (627-27-0) → 1-Nitroso-3-buten (67428-02-8)

Guidance literature:

DOI:10.1021/ja00479a005

upstream raw materials:

1-bromo-4-butene

homoalylic alcohol