ChemicalBook--->CAS DataBase List--->76-39-1

76-39-1

76-39-1 Structure

76-39-1 Structure
IdentificationBack Directory
[Name]

2-Methyl-2-nitropropan-1-ol
[CAS]

76-39-1
[Synonyms]

2-NITROISOBUTANOL
Methylnitropropanol
methyl-2nitro-2propanol
2-Methyl-2-nitropropanol
2-Nitro-2-methylpropanol
2-methyl-2-nitro-1-propano
2-METHYL-2-NITRO-1-PROPANOL
2-NITRO-2-METHYL-1-PROPANOL
2-methyl-2-nitropropan-1-ol
1-Propanol, 2-methyl-2-nitro-
2-Methyl-2-nitro-1-propanol>
[EINECS(EC#)]

200-957-6
[Molecular Formula]

C4H9NO3
[MDL Number]

MFCD00007394
[MOL File]

76-39-1.mol
[Molecular Weight]

119.12
Chemical PropertiesBack Directory
[Melting point ]

86-89 °C(lit.)
[Boiling point ]

94-95 °C10 mm Hg(lit.)
[density ]

1.0765 (estimate)
[refractive index ]

1.4413 (estimate)
[pka]

13.79±0.10(Predicted)
[InChI]

InChI=1S/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3
[InChIKey]

MVGJRISPEUZYAQ-UHFFFAOYSA-N
[SMILES]

C(O)C(C)([N+]([O-])=O)C
[NIST Chemistry Reference]

1-Propanol, 2-methyl-2-nitro-(76-39-1)
[EPA Substance Registry System]

1-Propanol, 2-methyl-2-nitro-(76-39-1)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
[WGK Germany ]

3
[RTECS ]

UB8575000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[Hazardous Substances Data]

76-39-1(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

2-Amino-2-methyl-1-propanol-->1,2-Diamino-2-methylpropane-->2-Dimethylamino-2-methyl-1-propanol
Hazard InformationBack Directory
[Uses]

The direct hydrogenation of 2-Methyl-2-nitropropan-1-ol obtains product 2-amino-2-methyl-1-propanol (2-Amino-2-methyl-1-propanol). 2-Amino-2-methyl-1-propanol 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.
[Synthesis]

By 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 DEG 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 DEG C, formaldehyde (40% aqueous solution) is added dropwise, drip with the reaction was continued afterwards 3h, obtains 2-Methyl-2-nitropropan-1-ol.
[Purification Methods]

Distil 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methyl-2-nitropropan-1-ol(76-39-1)MS
2-Methyl-2-nitropropan-1-ol(76-39-1)1HNMR
2-Methyl-2-nitropropan-1-ol(76-39-1)13CNMR
2-Methyl-2-nitropropan-1-ol(76-39-1)IR1
2-Methyl-2-nitropropan-1-ol(76-39-1)IR2
2-Methyl-2-nitropropan-1-ol(76-39-1)IR3
2-Methyl-2-nitropropan-1-ol(76-39-1)Raman
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