2-Nitrobut-2-ene

Base Information

• Chemical Name: 2-Nitrobut-2-ene
• CAS No.: 4812-23-1
• Molecular Formula: C₄H₇NO₂
• Molecular Weight: 101.105
• DSSTox Substance ID: DTXSID901032289
• Mol file: 4812-23-1.mol

Synonyms:4812-23-1;2-nitro-but-2-ene;DTXSID901032289

Chemical Property of 2-Nitrobut-2-ene

Chemical Property:

• Vapor Pressure: 6.07mmHg at 25°C
• Refractive Index: 1.4323 (estimate)
• 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:

99% ^*data from raw suppliers

2-NITRO-2-BUTENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Nitrobut-2-ene

There total 8 articles about 2-Nitrobut-2-ene 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: 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

Reference yield:

→ 2-nitro-but-2-ene (4812-23-1,27748-48-7,27748-49-8)

Guidance literature:

With sodium acetate; at 100 ℃;

upstream raw materials:

Nitroethane

acetate de nitro-3 butanol-2

sodium acetate

3-nitrobutan-2-ol

Downstream raw materials:

2-phenyl-3-nitrobutane

ethyl methyl ketone oxime

2-nitrobutane

C₁₂H₁₉NO₄

Refernces

• 1、 Nakano, Toshiki,Yagi, Yusuke,Miyahara, Mizuki,Kaminura, Akio,Kawatsura, Motoi,Itoh, Toshiyuki. "Chemo-enzymatic synthesis of a multi-useful chiral building block molecule for the synthesis of medicinal compounds". experimental part. p. 6747 - 6757. Retrieved 2011/10/18.
• 2、 Knochel, Paul,Seebach, Dieter. "Dehydratisierung von Nitroaldolen mit Dicyclohexylcarbodiimid: Herstellung von Nitroolefinen unter milden Bedingungen". . p. 1017 - 1018. Retrieved 2007/10/02.