2-Propanol, 2-methyl-1-nitro-

Base Information

• Chemical Name: 2-Propanol, 2-methyl-1-nitro-
• CAS No.: 5447-98-3
• Molecular Formula: C4H9NO3
• Molecular Weight: 119.12
• NSC Number: 17680
• UNII: 8LHB74BE5Q
• DSSTox Substance ID: DTXSID70202877
• Nikkaji Number: J543.220K
• Wikidata: Q83076212
• Mol file: 5447-98-3.mol

Synonyms:5447-98-3;2-Methyl-1-nitro-2-propanol;2-methyl-1-nitropropan-2-ol;2-Propanol, 2-methyl-1-nitro-;8LHB74BE5Q;1-Nitro-2-methyl-2-propanol;NSC 17680;NSC-17680;AI3-24934;NSC17680;2-Nitro-tertiary butanol;UNII-8LHB74BE5Q;2-Methyl-l-nitropropan-2-ol;SCHEMBL2020575;DTXSID70202877;MFCD00182534;AKOS002307147

Chemical Property of 2-Propanol, 2-methyl-1-nitro-

Chemical Property:

• Vapor Pressure: 0.0634mmHg at 25°C
• Boiling Point: 204.4°Cat760mmHg
• Flash Point: 92.1°C
• Density: 1.135g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 119.058243149
• Heavy Atom Count: 8
• Complexity: 93.9

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Propanol, 2-methyl-1-nitro-

There total 17 articles about 2-Propanol, 2-methyl-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: 94.0%

nitromethane (75-52-5) + acetone (67-64-1) → 2-methyl-1-nitro-2-propanol (5447-98-3)

Guidance literature:

With P(MeNCH₂CH₂)3N; magnesium sulfate; for 3h; Ambient temperature;

DOI:10.1021/jo9818733

Reference yield: 13.0%

nitromethane (75-52-5) + acetone (67-64-1) → 2-methyl-1-nitro-2-propanol (5447-98-3) + 2,2-dimethyl-1,3-dinitropropane (762-98-1)

Guidance literature:

With P(MeNCH₂CH₂)3N; magnesium sulfate; for 18h; Ambient temperature;

DOI:10.1021/jo9818733

Reference yield:

isobutene (115-11-7,15220-85-6) → 2-methyl-1-nitro-2-propanol (5447-98-3)

Guidance literature:

With dinitrogen trioxide; diethyl ether; anschliessendes Behandeln mit Wasser;

upstream raw materials:

nitromethane

n-Pentylamine

acetone

triethylamine

Downstream raw materials:

2,2-dimethyl-1,3-dinitropropane

2-Acetoxy-2-methyl-1-nitro-propan

nitromethane

acetone