2-Nitro-2-pentene

Base Information

• Chemical Name: 2-Nitro-2-pentene
• CAS No.: 6065-19-6
• Molecular Formula: C5H9NO2
• Molecular Weight: 115.132
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID701031392
• Nikkaji Number: J151.351F
• Mol file: 6065-19-6.mol

Synonyms:2-Nitro-2-pentene;2-Pentene, 2-nitro-;6065-19-6;27748-50-1;2-Pentene, 2-nitro-, (E)-;(E)-2-Nitro-2-pentene;(E)-2-nitro-pent-2-ene;DTXSID701031392;AKOS006279857;LS-102076

Chemical Property of 2-Nitro-2-pentene

Chemical Property:

• Vapor Pressure: 2.27mmHg at 25°C
• Refractive Index: 1.4389 (estimate)
• Boiling Point: 518.4°Cat760mmHg
• Flash Point: 267.3°C
• PSA: 45.82000
• Density: 1.175g/cm³
• LogP: 2.10010
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 115.063328530
• Heavy Atom Count: 8
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Nitro-2-pentene

There total 3 articles about 2-Nitro-2-pentene 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:

Methanesulfonic acid 1-ethyl-2-nitro-propyl ester → 2-nitro-2-pentene (6065-19-6)

Guidance literature:

With hydrogenchloride; In dichloromethane;

DOI:10.1021/jo00214a018

Reference yield:

2-nitropentan-3-ol (20575-40-0,138668-19-6,138668-26-5) → 2-nitro-2-pentene (6065-19-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 0 °C

2: 5percent aq. HCl / CH₂Cl₂

With hydrogenchloride; triethylamine; In dichloromethane;

DOI:10.1021/jo00214a018

Reference yield:

→ 2-nitro-2-pentene (6065-19-6)

Guidance literature:

2-Nitro-3-pentanol, CH3SO2Cl, N(C2H5)3;

DOI:10.1021/jo00902a033

upstream raw materials:

2-nitropentan-3-ol

Downstream raw materials:

3-ethyl-2,6-dimethylphenol

3-ethyl-2-methyl-phenol

2-Methyl-2-nitro-3-phenylsulfanyl-pentan-1-ol

2-Pentanone

Refernces