2-Nitro-2-heptene

Base Information

• Chemical Name: 2-Nitro-2-heptene
• CAS No.: 6065-14-1
• Molecular Formula: C₇H₁₃NO₂
• Molecular Weight: 143.186
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID301031388
• Nikkaji Number: J49.371F,J2.594.973K
• Wikidata: Q76325341
• Mol file: 6065-14-1.mol

Synonyms:2-Nitro-2-heptene;2-HEPTENE, 2-NITRO-;6065-14-1;(Z)-2-Nitro-2-heptene;DTXSID301031388;LS-74555

Chemical Property of 2-Nitro-2-heptene

Chemical Property:

• Vapor Pressure: 0.305mmHg at 25°C
• Refractive Index: 1.4441 (estimate)
• Boiling Point: 208.6°C at 760 mmHg
• Flash Point: 74.9°C
• PSA: 45.82000
• Density: 0.952g/cm³
• LogP: 2.88030
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 143.094628657
• Heavy Atom Count: 10
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Nitro-2-heptene

There total 3 articles about 2-Nitro-2-heptene 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: 99.0%

2-nitroheptan-3-ol (61097-77-6) → 2-Nitro-2-hepten (6065-14-1)

Guidance literature:

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

DOI:10.1055/s-1982-30045

Reference yield:

Nitroethane (79-24-3) + pentanal (110-62-3) → 2-Nitro-2-hepten (6065-14-1)

Guidance literature:

Multistep reaction; (i) Et₃N, (ii) Ac₂O, H₂SO₄, (iii) NaBH₄, DMSO;

DOI:10.1021/jo00983a003

Reference yield:

→ 2-Nitro-2-hepten (6065-14-1)

Guidance literature:

Acetat des 2-Nitro-heptanols-(3), Erhitzen mit wasserfreiem Natrium-acetat <4-6 h/115-120grad>;

DOI:10.1021/je60012a028

upstream raw materials:

Nitroethane

pentanal

2-nitroheptan-3-ol

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