2-Methyl-2-nitropropane

Base Information

• Chemical Name: 2-Methyl-2-nitropropane
• CAS No.: 594-70-7
• Molecular Formula: C4H9 N O2
• Molecular Weight: 103.121
• Hs Code.: 2904209090
• European Community (EC) Number: 209-851-4
• NSC Number: 3651
• UNII: 9DKH5L679Z
• DSSTox Substance ID: DTXSID0060488
• Nikkaji Number: J471E
• Wikidata: Q27272400
• Mol file: 594-70-7.mol

Synonyms:2-METHYL-2-NITROPROPANE;594-70-7;2-Nitroisobutane;Propane, 2-methyl-2-nitro-;Trimethylnitromethane;tert-Nitrobutane;Nitro-tert-butane;1,1-Dimethyl-1-nitroethane;2-Nitro-2-methylpropane;2-methyl-2-nitro-propane;CCRIS 5044;NSC 3651;EINECS 209-851-4;UNII-9DKH5L679Z;9DKH5L679Z;NSC-3651;NSC3651;tert-BuNO2;tBuNO2;MFCD00007393;t-BuNO2;1,1-dimethylnitroethane;(CH3)3CNO2;SCHEMBL1122744;DTXSID0060488;2-Methyl-2-nitropropane, 99%;AKOS015963348;BS-22931;LS-188162;CS-0128805;FT-0612923;M1241;D91469;EN300-818759;A832334;Q27272400

Chemical Property of 2-Methyl-2-nitropropane

Chemical Property:

• Appearance/Colour: clear colourless liquid after melting
• Vapor Pressure: 6.71mmHg at 25°C
• Melting Point: 24 ºC
• Refractive Index: n20/D 1.4(lit.)
• Boiling Point: 126-127 ºC
• Flash Point: 19 ºC
• PSA: 45.82000
• Density: 0.95
• LogP: 1.58480
• Storage Temp.: Flammables area
• Water Solubility.: Insoluble
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 103.063328530
• Heavy Atom Count: 7
• Complexity: 76.7

Purity/Quality:

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

2-Methyl-2-nitropropane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitros, Aliphatic
• Canonical SMILES: CC(C)(C)[N+](=O)[O-]
• Uses: 2-Methyl-2-nitropropane is a useful reagent in the preparation of various other chemical compounds including amines, alkynylnitrones, amides and nitriles.

Technology Process of 2-Methyl-2-nitropropane

There total 35 articles about 2-Methyl-2-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: 100.0%

tert-butylamine (75-64-9) → 2-Methyl-2-nitropropane (594-70-7)

Guidance literature:

With dihydrogen peroxide; Na₁₂[WZn₃(H₂O)2(ZnW₉O₃₄)2]; at 75 ℃; for 7h;

DOI:10.1002/adsc.200303156

Reference yield: 79.0%

Trimethylacetic acid (75-98-9) → 2-Methyl-2-nitropropane (594-70-7)

Guidance literature:

With nitronium tetrafluoborate; silver carbonate; In N,N-dimethyl acetamide; at 90 ℃; for 12h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.5b02133

Reference yield: 75.0%

t-butylnitrite (917-95-3) → 2-Methyl-2-nitropropane (594-70-7)

Guidance literature:

With iodosylbenzene; meso-tetraphenylporphyrin iron(III) chloride; In dichloromethane; at 0 ℃;

DOI:10.1039/C39870001405

upstream raw materials:

Isobutane

2,2-dimethylpropane

tertiary butyl chloride

t-butyl bromide

Downstream raw materials:

tert-butylamine

di-tert-butyl nitroxide

N-tert-butyl-N-phenylhydroxylamine

N-tert.-Butyl-N-(2,6-dimethoxy-phenyl)-hydroxylamin

Refernces

• 1、 Pfab. "". . p. 297. Retrieved 1976.
• 2、 Dubikhin et al.. "". . . Retrieved 1971.
• 3、 Kumar, Vikash,Ghosh, Somnath,Saini, Anoop Kumar,Mobin, Shaikh M.,Mondal, Biplab. "Copper(II) mediated phenol ring nitration by nitrogen dioxide". . p. 19909 - 19917. Retrieved 2015/12/01.
• 4、 -. "NITRATED HYDROCARBONS, DERIVATIVES, AND PROCESSES FOR THEIR MANUFACTURE". Page/Page column 27-29; 33. . Retrieved 2009/12/02.