2-Methyl-1-nitropropane

Base Information

• Chemical Name: 2-Methyl-1-nitropropane
• CAS No.: 625-74-1
• Molecular Formula: C4H9NO2
• Molecular Weight: 103.121
• European Community (EC) Number: 830-037-5
• NSC Number: 3660
• DSSTox Substance ID: DTXSID90211547
• Nikkaji Number: J96.225B
• Mol file: 625-74-1.mol

Synonyms:2-Methyl-1-nitropropane;625-74-1;Propane, 2-methyl-1-nitro-;1-Nitro-2-methylpropane;2-methyl-1-nitro-propane;Nitroisobutan;1-Nitroisobutane;NSC3660;2-Methyl-3-nitropropane;(CH3)2CHCH2NO2;SCHEMBL1170344;DTXSID90211547;NSC 3660;NSC-3660;MFCD00094894;AKOS006238345;CS-0252339;EN300-59863;F83235

Chemical Property of 2-Methyl-1-nitropropane

Chemical Property:

• Melting Point: -76.85°C
• Refractive Index: 1.4044
• Boiling Point: 138.5°Cat760mmHg
• PKA: 8.79±0.50(Predicted)
• Flash Point: 38.2°C
• PSA: 45.82000
• Density: 0.957g/cm³
• LogP: 1.44230
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 103.063328530
• Heavy Atom Count: 7
• Complexity: 64.6

Purity/Quality:

99%min ^*data from raw suppliers

2-Methyl-1-nitropropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitros, Aliphatic
• Canonical SMILES: CC(C)C[N+](=O)[O-]
• Uses: 2-Methyl-1-nitropropane is a solvent used in chemical research, example in the discovery of volatile compounds released by bacterial strains.

Technology Process of 2-Methyl-1-nitropropane

There total 10 articles about 2-Methyl-1-nitropropane 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:

isobutyraldehyde oxime (151-00-8) → 1-nitroisobutane (625-74-1) + isobutyrohydroxamic acid (22779-89-1)

Guidance literature:

Reference yield:

1-(6-chloronicotinyl)-2-nitroiminoimidazoline (105827-78-9) → 2-pyrrolidinon (616-45-5) + 6-Chloro-3-pyridinecarboxylic acid (5326-23-8) + 6-chloro-3-pyridinecarboxamide (6271-78-9) + 6-chloronicotinylaldehyde (23100-12-1) + n-Amyl nitrite (463-04-7) + 1-nitroisobutane (625-74-1) + 1-[(6-chloro-3-pyridinyl)-methyl]-imidazolidin-2-one (120868-66-8)

Guidance literature:

With phosphotungstic acid supported on mesoporous sieve MCM-41; In water; for 14h; Irradiation;

DOI:10.1002/cjoc.201180453

Reference yield:

Isobutyl iodide (513-38-2) → nitrous acid isobutyl ester (542-56-3) + 1-nitroisobutane (625-74-1)

Guidance literature:

With silver(I) nitrite; unter Kuehlung;

upstream raw materials:

nitrous acid isobutyl ester

Isobutyl bromide

Isobutyl iodide

isobutyraldehyde oxime

Downstream raw materials:

5-isopropyl-5-nitro-tetrahydro-[1,3]oxazine

2-aminomethyl-3-methyl-2-nitro-butan-1-ol

isobutylamine

isobutyraldehyde oxime

Refernces

• 1、 Zamashchikov, V. V.,Rudakov, E. S.,Bezbozhnaya, T. V.,Matveev, A. A.. "M+-SN1 AND M+-SN2 REACTIONS OF PRIMARY ALKYL IODIDES IN AQUEOUS SOLUTIONS OF THE NITRITE COMPLEXES OF SILVER". . p. 424 - 429. Retrieved 2007/10/02.