1,2-Propanediol, 1-nitrate

Base Information

• Chemical Name: 1,2-Propanediol, 1-nitrate
• CAS No.: 20266-65-3
• Molecular Formula: C₃H₇NO₄
• Molecular Weight: 121.093
• DSSTox Substance ID: DTXSID10873560
• Mol file: 20266-65-3.mol

Synonyms:1,2-Propanediol, 1-nitrate;20266-65-3;2-hy-droxypropyl nitrate;1-(Nitrooxy)-2-propanol;propylene glycol 1-mononitrate;1,2-Propanediol, 1-nitrate-;SCHEMBL6354071;DTXSID10873560

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

Chemical Property:

• Vapor Pressure: 10.6mmHg at 25°C
• Boiling Point: 113.6°Cat760mmHg
• Flash Point: 22.5°C
• Density: 1.273g/cm³
• 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:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 5 articles about 1,2-Propanediol, 1-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: 92.0%

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

Guidance literature:

With bismuth(III) nitrate; In acetonitrile; at 20 ℃; for 0.666667h;

DOI:10.1002/hlca.200790002

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: 45.3%

1-nitrooxy-propan-2-one (6745-71-7) → 2-hydroxy-1-nitrooxy-propane (20266-65-3)

Guidance literature:

With sodium tetrahydroborate; sodium hydrogencarbonate; In ethanol; for 2h; Ambient temperature;

DOI:10.1248/cpb.41.1049

upstream raw materials:

1-nitrooxy-propan-2-one

methyloxirane

propene