1-Propanol, 2,2-dimethyl-, nitrate

Base Information

• Chemical Name: 1-Propanol, 2,2-dimethyl-, nitrate
• CAS No.: 926-42-1
• Molecular Formula: C5H11NO3
• Molecular Weight: 133.147
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID50239060
• Wikidata: Q83121406
• Mol file: 926-42-1.mol

Synonyms:NEOPENTYL NITRATE;926-42-1;1-Propanol, 2,2-dimethyl-, nitrate;2,2-Dimethyl-1-propanol nitrate;2,2-dimethylpropyl nitrate;SCHEMBL7759159;DTXSID50239060;YJGBGWFCCCQXIM-UHFFFAOYSA-N;Nitric acid 2,2-dimethylpropyl ester;AKOS040767720

Chemical Property of 1-Propanol, 2,2-dimethyl-, nitrate

Chemical Property:

• Vapor Pressure: 6.77mmHg at 25°C
• Boiling Point: 143.2°Cat760mmHg
• Flash Point: 45.3°C
• PSA: 55.05000
• Density: 1.022g/cm³
• LogP: 1.76400
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 133.07389321
• Heavy Atom Count: 9
• Complexity: 99.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrates and Nitrites
• Canonical SMILES: CC(C)(C)CO[N+](=O)[O-]

Technology Process of 1-Propanol, 2,2-dimethyl-, nitrate

There total 4 articles about 1-Propanol, 2,2-dimethyl-, 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: 88.0%

2,2-dimethyl-propanol-1 (75-84-3) → 2,2-dimethylpropyl nitrate (926-42-1)

Guidance literature:

With nitric acid; acetic anhydride; at 20 ℃;

DOI:10.1021/ic902387y

Reference yield:

2,2-dimethyl-propanol-1 (75-84-3) → 2,2-dimethylpropyl nitrite (77212-96-5) + 2,2-dimethylpropyl nitrate (926-42-1) + pivalaldehyde (630-19-3) + Trimethylacetic acid (75-98-9)

Guidance literature:

With nitric acid; In dichloromethane; at 20 ℃; for 1h; Title compound not separated from byproducts;

DOI:10.1002/ejoc.200390090

Reference yield:

nitromethane (75-52-5) + 2,2-dimethyl-propanol-1 (75-84-3) + nitric acid (7697-37-2,78989-43-2) → 2,2-dimethylpropyl nitrate (926-42-1)

Guidance literature:

at 25 ℃;

upstream raw materials:

2,2-dimethyl-propanol-1

nitromethane

nitric acid

Downstream raw materials:

2-Methyl-2-nitropropane

formaldehyd

tert.-butylnitrite

tetramethyl-2,2,3,3 butane