1,2-Propanediol, 2-nitrate

Base Information

• Chemical Name: 1,2-Propanediol, 2-nitrate
• CAS No.: 20266-74-4
• Molecular Formula: C3H7 N O4
• Molecular Weight: 121.093
• Hs Code.: 2920909090
• European Community (EC) Number: 828-601-0
• DSSTox Substance ID: DTXSID70873561
• Mol file: 20266-74-4.mol

Synonyms:1,2-Propanediol, 2-nitrate;1-hydroxypropan-2-yl nitrate;20266-74-4;2-nitrooxy-1-propanol;2-(nitrooxy)propan-1-ol;SCHEMBL7374379;DTXSID70873561;EN300-6489487

Chemical Property of 1,2-Propanediol, 2-nitrate

Chemical Property:

• Vapor Pressure: 10.6mmHg at 25°C
• Boiling Point: 113.6°C at 760 mmHg
• PKA: 13.73±0.10(Predicted)
• Flash Point: 22.5°C
• PSA: 75.28000
• Density: 1.273g/cm³
• LogP: 0.09870
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 121.03750770
• Heavy Atom Count: 8
• Complexity: 77.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2-Propanediol, 2-nitrate

There total 6 articles about 1,2-Propanediol, 2-nitrate 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: 85.0%

methyl 2-nitrooxypropionate (1860-19-1) → 1-hydroxy-2-nitrooxy-propane (20266-74-4)

Guidance literature:

With sodium tetrahydroborate; calcium chloride; In 1,2-dimethoxyethane; 1a.) 45 deg C, 3h, 1b.) RT, 10h, 2.) 1h; or with LiCl or MgCl₂;

DOI:10.1055/s-1990-26903

Reference yield: 65.0%

methyloxirane (75-56-9,16033-71-9) → 2-hydroxy-1-nitrooxy-propane (20266-65-3) + 1-hydroxy-2-nitrooxy-propane (20266-74-4)

Guidance literature:

With ammonium cerium(IV) nitrate; tetrabutylammonium nitrate; In acetonitrile; for 3h; Ambient temperature;

DOI:10.1016/0040-4020(94)00979-5

Reference yield: 54.0%

methyloxirane (75-56-9,16033-71-9) → 1-hydroxy-2-nitrooxy-propane (20266-74-4)

Guidance literature:

With ammonium nitrate; nitric acid; Ambient temperature;

DOI:10.1248/cpb.43.788

upstream raw materials:

methyl 2-nitrooxypropionate

methyloxirane

propene

propylene glycol

Downstream raw materials:

CD 349