1-Nitro-2-propanol acetate

Base Information

• Chemical Name: 1-Nitro-2-propanol acetate
• CAS No.: 3156-76-1
• Molecular Formula: C5H9 N O4
• Molecular Weight: 163.1287
• DSSTox Substance ID: DTXSID30953535
• Mol file: 3156-76-1.mol

Synonyms:1-Nitro-2-propanol acetate;3156-76-1;2-Propanol, 1-nitro-, acetate (ester);1-nitropropan-2-yl acetate;1-nitropropane-2-ol acetate;SCHEMBL10833136;DTXSID30953535

Chemical Property of 1-Nitro-2-propanol acetate

Chemical Property:

• Vapor Pressure: 0.000145mmHg at 25°C
• Boiling Point: 296.7°Cat760mmHg
• Flash Point: 133.2°C
• Density: 1.298g/cm³
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 147.05315777
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Nitro-2-propanol acetate

There total 7 articles about 1-Nitro-2-propanol acetate 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: 85.7%

2-hydroxy-1-nitropropane (3156-73-8) + acetyl chloride (75-36-5) → 2-acetoxy-1-nitropropane (3156-76-1)

Guidance literature:

DOI:10.1007/BF00909674

Reference yield: 43.3%

vinyl acetate (108-05-4,9003-20-7) + 2-hydroxy-1-nitropropane (3156-73-8) → (+)-1-nitro-2-propanol (3156-73-8,63599-02-0) + (+)-1-nitro-2-acetoxypropane (3156-76-1,137695-17-1)

Guidance literature:

In hexane; at 30 ℃; for 5h; lipase, Amano AK; other solvents, stereoselectivity;

DOI:10.1016/S0040-4039(00)93502-0

Reference yield:

(+)-1-nitro-2-propanol (3156-73-8,63599-02-0) + acetyl chloride (75-36-5) → (-)-1-nitro-2-acetoxypropane (3156-76-1,137695-17-1)

Guidance literature:

With pyridine;

DOI:10.1016/S0040-4039(00)93502-0

upstream raw materials:

Ketene

2-hydroxy-1-nitropropane

acetic anhydride

acetyl chloride

Downstream raw materials:

2-(2-Benzyloxy-phenyl)-4-methyl-1-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester

2-(2-Benzyloxy-phenyl)-1-cyclohexyl-4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester

2-(2-Benzyloxy-phenyl)-1-(3,5-dimethyl-phenyl)-4-methyl-1H-pyrrole-3-carboxylic acid ethyl ester

(E)-1-nitroprop-1-ene