2-Octanol, 1-nitro-

Base Information

• Chemical Name: 2-Octanol, 1-nitro-
• CAS No.: 2224-39-7
• Molecular Formula: C8H17 N O3
• Molecular Weight: 175.228
• NSC Number: 19563
• Nikkaji Number: J462.229D
• Mol file: 2224-39-7.mol

Synonyms:2-Octanol, 1-nitro-;1-Nitro-2-octanol;2224-39-7;NSC19563;2-hydroxynitro octane;1-nitro-octan-2-ol;SCHEMBL10947381;NSC 19563;NSC-19563

Chemical Property of 2-Octanol, 1-nitro-

Chemical Property:

• Vapor Pressure: 0.000654mmHg at 25°C
• Boiling Point: 275.1°C at 760 mmHg
• Flash Point: 115.1°C
• Density: 1.023g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 175.12084340
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Octanol, 1-nitro-

There total 8 articles about 2-Octanol, 1-nitro- 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%

heptanal (111-71-7) + nitromethane (75-52-5) → 1-nitro-2-octanol (2224-39-7)

Guidance literature:

With P(i-PrNCH₂CH₂)3N; magnesium sulfate; for 0.666667h; Ambient temperature;

DOI:10.1021/jo9818733

Reference yield: 77.0%

oct-1-ene (111-66-0,25068-25-1) + acetophenone (98-86-2) → (E)-1-nitrooct-1-ene (127143-69-5) + 1-nitro-2-octanol (2224-39-7) + (5-hexyl-4,5-dihydroisoxazol-3-yl)(phenyl)methanone

Guidance literature:

With ammonium cerium(IV) nitrate; In acetonitrile; for 20h; Further Variations:; Reaction partners; Reagents; Solvents; times; Product distribution; Heating;

DOI:10.1016/j.tet.2003.11.088

Reference yield: 72.0%

heptanal (111-71-7) + bromonitromethane (563-70-2) → 1-nitro-2-octanol (2224-39-7)

Guidance literature:

With tin(ll) chloride; In diethyl ether; at 20 ℃; for 4h;

DOI:10.1515/znb-2005-0411

upstream raw materials:

heptanal

nitromethane

oct-1-ene

acetophenone

Downstream raw materials:

(2RS)-1-amino-2-octanol

1-nitro-1-octene

(E)-1-nitrooct-1-ene

N-(2-hydroxy-octyl)-benzamide