2-Nitro-2-butene

Base Information

• Chemical Name: 2-Nitro-2-butene
• CAS No.: 27748-48-7
• Molecular Formula: C4H7 N O2
• Molecular Weight: 101.105
• Hs Code.: 2904209090
• Nikkaji Number: J150.972A
• Wikidata: Q76305223
• Mol file: 27748-48-7.mol

Synonyms:2-Nitro-2-butene;2-BUTENE, 2-NITRO-;(E)-2-nitro-2-butene;trans-2-Nitro-2-butene;2-Butene, 2-nitro-, (2E)-;4812-23-1;27748-48-7;cis-2-nitro-but-2-ene;(E)-2-nitro-but-2-ene;SCHEMBL2757858;SCHEMBL5359120;(2E)-2-Nitro-2-butene #;AKOS006278699;LS-47066

Chemical Property of 2-Nitro-2-butene

Chemical Property:

• Vapor Pressure: 6.07mmHg at 25°C
• Boiling Point: 145.6°Cat760mmHg
• Flash Point: 45.8°C
• PSA: 45.82000
• Density: 1.003g/cm³
• LogP: 1.71000
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 101.047678466
• Heavy Atom Count: 7
• Complexity: 101

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)[N+](=O)[O-]
• Isomeric SMILES: C/C=C(\C)/[N+](=O)[O-]

Technology Process of 2-Nitro-2-butene

There total 14 articles about 2-Nitro-2-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: 92.0%

Nitroethane (79-24-3) + acetaldehyde (75-07-0,9002-91-9) → 2-nitro-but-2-ene (4812-23-1,27748-48-7,27748-49-8)

Guidance literature:

With piperidine-4-carboxylic acid functionalized Fe₃O₄ nanoparticles; In dichloromethane; at 80 - 100 ℃; Inert atmosphere;

DOI:10.1016/j.materresbull.2012.05.015

Reference yield: 90.0%

(1-nitroethyl)-phosphonic acid diethyl ester (60593-26-2) + acetaldehyde (75-07-0,9002-91-9) → (E)-2-nitrobut-2-ene (27748-48-7)

Guidance literature:

With t-butoxide; In tetrahydrofuran; at 0 - 60 ℃; for 5h;

DOI:10.1246/cl.1992.933

Reference yield: 82.0%

3-nitrobutan-2-ol (6270-16-2) → 2-nitro-but-2-ene (4812-23-1,27748-48-7,27748-49-8)

Guidance literature:

With dicyclohexyl-carbodiimide; copper(l) chloride; In diethyl ether; at 35 ℃; for 17h;

DOI:10.1055/s-1982-30045

upstream raw materials:

3-nitrobutan-2-ol

acetate de nitro-3 butanol-2

Nitroethane

acetaldehyde

Downstream raw materials:

2-(1-methyl-2-oxopropyl)cyclohexanone

2-methyl-2-(2-oxobutyl)cyclohexanone

2-methyl-2-(1-methyl-2-oxopropyl)cyclohexanone

C₁₂H₁₉NO₄