2-Methyl-1-nitro-2-(nitromethyl)butane

Base Information

• Chemical Name: 2-Methyl-1-nitro-2-(nitromethyl)butane
• CAS No.: 14035-97-3
• Molecular Formula: C₆H₁₂N₂O₄
• Molecular Weight: 176.172
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID20408382
• Nikkaji Number: J441.092K
• Wikidata: Q82213851
• Mol file: 14035-97-3.mol

Synonyms:2-methyl-1-nitro-2-(nitromethyl)butane;14035-97-3;1,3-dinitro-2-ethyl-2-methylpropane;SCHEMBL3295835;DTXSID20408382;AKOS024333551

Chemical Property of 2-Methyl-1-nitro-2-(nitromethyl)butane

Chemical Property:

• PSA: 91.64000
• LogP: 2.00250
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 176.07970687
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

1,3-DINITRO-2-ETHYL-2-METHYLPROPANE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-1-nitro-2-(nitromethyl)butane

There total 5 articles about 2-Methyl-1-nitro-2-(nitromethyl)butane 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: 27.0%

nitromethane (75-52-5) + butanone (78-93-3) → 2-methyl-1-nitrobutan-2-ol (22916-76-3) + 2-methyl-1-nitro-2-(nitromethyl)butane (14035-97-3)

Guidance literature:

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

DOI:10.1021/jo9818733

Reference yield:

nitromethane (75-52-5) + butanone (78-93-3) → 2-methyl-1-nitro-2-(nitromethyl)butane (14035-97-3)

Guidance literature:

With sodium ethanolate;

Reference yield:

nitromethane (75-52-5) + 2-methyl-1-nitrobutan-2-ol (22916-76-3) → 2-methyl-1-nitro-2-(nitromethyl)butane (14035-97-3)

Guidance literature:

With piperidine;

upstream raw materials:

nitromethane

2-methyl-1-nitrobutan-2-ol

butanone

piperidine