2-Nitropropene

Base Information

• Chemical Name: 2-Nitropropene
• CAS No.: 4749-28-4
• Molecular Formula: C3H5 N O2
• Molecular Weight: 87.0782
• DSSTox Substance ID: DTXSID70197158
• Nikkaji Number: J51.037H
• Wikidata: Q83070118
• Mol file: 4749-28-4.mol

Synonyms:2-Nitropropene;2-nitroprop-1-ene;4749-28-4;2-nitro-1-propene;Propene, 2-nitro-;2-Nitropropylene;TL 1147;2-nitro-prop-1-ene;BRN 1209319;4-01-00-00764 (Beilstein Handbook Reference);1-Propene, 2-nitro-;2-nitro-propene;DTXSID70197158;AKOS006279013;LS-123517;FT-0659618

Chemical Property of 2-Nitropropene

Chemical Property:

• Vapor Pressure: 19.1mmHg at 25°C
• Melting Point: 65-67 °C
• Refractive Index: 1.4358
• Boiling Point: 119.4°Cat760mmHg
• Flash Point: 31.9°C
• PSA: 45.82000
• Density: 1.015g/cm³
• LogP: 1.31990
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 87.032028402
• Heavy Atom Count: 6
• Complexity: 81.3

Purity/Quality:

99%, ^*data from raw suppliers

2-NITROPROPENE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Nitropropene

There total 21 articles about 2-Nitropropene 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: 94.0%

2-NITROPROPANOL (2902-96-7) → 2-nitropropene (4749-28-4)

Guidance literature:

With phthalic anhydride; Heating;

DOI:10.1021/jo00372a037 DOI:10.1021/jm00402a026

Reference yield: 52.0%

2-nitro-1-butanol (609-31-4) → 2-nitropropene (4749-28-4)

Guidance literature:

With phthalic anhydride; at 150 - 200 ℃;

DOI:10.1021/acs.joc.8b00973

Reference yield:

→ 2-nitropropene (4749-28-4)

Guidance literature:

With calcium magnesium phosphate; at 285 ℃;

upstream raw materials:

1-(2-nitro-propyl)-piperidine

1-chloro-2-nitro-propane

2-NITROPROPANOL

2-nitropropyl acetate

Downstream raw materials:

2-(2-Nitro-propyl)-6--cyclohexanon

2-(2-oxopropyl)cyclohexanone

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

2-Methyl-6-(2-oxopropyl)cyclohexanone

Refernces

• 1、 Ertugrul, Berrak,Kilic, Haydar,Lafzi, Farrokh,Saracoglu, Nurullah. "Access to C5-Alkylated Indolines/Indoles via Michael-Type Friedel-Crafts Alkylation Using Aryl-Nitroolefins". . p. 9018 - 9038. Retrieved 2018/06/27.
• 2、 Jasinski, Radomir,Mikulska, Maria,Baranski, Andrzej. "Unexpected course of [2+3] cycloaddition of 2-nitropropene to (Z)-C,N-diphenylnitrone". body text. p. 41 - 45. Retrieved 2012/04/23.