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2-Methyl-2-nitropropan-1-ol

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2-Methyl-2-nitropropan-1-ol Basic information
Product Name:2-Methyl-2-nitropropan-1-ol
Synonyms:2-methyl-2-nitro-1-propano;2-Methyl-2-nitropropanol;2-Nitro-2-methylpropanol;methyl-2nitro-2propanol;2-NITRO-2-METHYL-1-PROPANOL;2-NITROISOBUTANOL;2-METHYL-2-NITRO-1-PROPANOL;Methylnitropropanol
CAS:76-39-1
MF:C4H9NO3
MW:119.12
EINECS:200-957-6
Product Categories:
Mol File:76-39-1.mol
2-Methyl-2-nitropropan-1-ol Structure
2-Methyl-2-nitropropan-1-ol Chemical Properties
Melting point 86-89 °C(lit.)
Boiling point 94-95 °C10 mm Hg(lit.)
density 1.0765 (estimate)
refractive index 1.4413 (estimate)
pka13.79±0.10(Predicted)
InChIInChI=1S/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3
InChIKeyMVGJRISPEUZYAQ-UHFFFAOYSA-N
SMILESC(O)C(C)([N+]([O-])=O)C
NIST Chemistry Reference1-Propanol, 2-methyl-2-nitro-(76-39-1)
EPA Substance Registry System1-Propanol, 2-methyl-2-nitro- (76-39-1)
Safety Information
WGK Germany 3
RTECS UB8575000
TSCA TSCA listed
Hazardous Substances Data76-39-1(Hazardous Substances Data)
MSDS Information
ProviderLanguage
SigmaAldrich English
2-Methyl-2-nitropropan-1-ol Usage And Synthesis
UsesThe direct hydrogenation of 2-Methyl-2-nitropropan-1-ol obtains product 2-amino-2-methyl-1-propanol (2-氨基-2-甲基-1-丙醇). 2-氨基-2-甲基-1-丙醇 is a kind of multifunction additive being widely known by the people, be widely used in coating and printing ink, metal working fluid, in the industries such as personal nursing and medicine intermediate.
SynthesisBy catalyst 10g (Ti-V-ZSM-5), acetone 58.08g, ammonium hydroxide 20g are added in 400ml methanol, are warming up to 70 DEG C, hydrogen peroxide (35%) 226.7g is slowly added dropwise, temperature is maintained to react 1h at 65-75°C, obtain 2- nitros third after being added dropwise Alkane reaction solution;Filtering adds in 5g sodium hydroxides to reaction solution, is warming up to 35°C, formaldehyde (40% aqueous solution) is added dropwise, drip with the reaction was continued afterwards 3h, obtains 2-Methyl-2-nitropropan-1-ol.
Purification MethodsDistil it under vacuum and/or crystallise it from pet ether or MeOH. [Astle & Abbott J Org Chem 21 1229 1956, Kambe & Yasuda Bull Soc Chem Jpn 41 1444 1968, Beilstein 1 H 378, 1 III 1546, 1 IV 1604.]
2-Methyl-2-nitropropan-1-ol Preparation Products And Raw materials
Preparation Products2-Amino-2-methyl-1-propanol-->1,2-Diamino-2-methylpropane-->2-Dimethylamino-2-methyl-1-propanol
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