4604-49-3

Basic information

• Product Name: 5-methyl-5-nitrohexan-2-one
• Synonyms: 5-Methyl-5-nitro-2-hexanone;5-Nitro-5-methyl-2-hexanone;5-methyl-5-nitrohexan-2-one
• CAS NO: 4604-49-3
• Molecular Formula: C₇H₁₃NO₃
• Molecular Weight: 159.18302
• EINECS: 225-006-2
• Mol File: 4604-49-3.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 248°C at 760 mmHg
• Flash Point: 103.3°C
• Appearance: /
• Density: 1.033g/cm³
• Vapor Pressure: 0.0249mmHg at 25°C
• Refractive Index: 1.438
• CAS DataBase Reference: 5-methyl-5-nitrohexan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 5-methyl-5-nitrohexan-2-one(4604-49-3)
• EPA Substance Registry System: 5-methyl-5-nitrohexan-2-one(4604-49-3)

Safety Data

• Hazardous Substances Data: 4604-49-3(Hazardous Substances Data)

Usage

General Description

5-Methyl-5-nitrohexan-2-one is a chemical compound with the molecular formula C7H13NO3. It is a yellow liquid with a fruity odor, and is commonly used as a flavoring agent in the food and beverage industry. This chemical is classified as a nitro compound, and is known to be potentially hazardous if ingested, inhaled, or absorbed through the skin. It is important to handle this substance with caution and in accordance with safety guidelines. Additionally, this compound is not considered to be environmentally friendly and should be disposed of properly to prevent negative impacts on the environment. Overall, 5-Methyl-5-nitrohexan-2-one is a chemical compound with various applications, but its potential hazards and environmental impact must be carefully considered.

InChI:InChI=1/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3

Upstream product

• 79-46-9 2-nitropropane 
• 78-94-4 methyl vinyl ketone 
• 552-89-6 2-nitro-benzaldehyde 
• 109-87-5 Dimethoxymethane 
• 23169-87-1 (E)-2-buten-2-ol 
• 15984-02-8 1-methyl-1-propenyl acetate 
• 7204-36-6 (Z)-2-butene-1-yl acetate 
• 4088-60-2 cis-2-buten-1-ol 
• 10150-87-5 1-acetoxybutan-3-one 
• 3299-38-5 4-(diethylamino)butan-2-one 

Downstream Products

• 73743-16-5 O-benzoyl-NN-(1,1,4,4-tetramethyltetramethylene)hydroxylamine 
• 3229-53-6 2,2,5,5-tetramethyl-1-pyrrolidinyloxy 
• 40936-05-8 2,5,5-trimethylpyrrolidine-1-oxyl 
• 4567-18-4 2,5,5-trimethylpyrroline N-oxide 
• 7251-87-8 5-methyl-5-nitro-2-hexanol 
• 6496-48-6 2,2,5-trimethylpyrrolidine 

Relevant articles and documents

A bifunctional molecule that receives two electrons sequentially through only one of its two reducible groups

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Poly(N-vinylimidazole) as efficient recyclable catalyst for the Michael addition of CH-acids to electron deficient alkenes in water

Efficiency of poly(N-vinylimidazole) as the basic recyclable catalyst for the Michael addition of CH-acids to acrylonitrile, methyl acrylate, methyl vinyl ketone and methyl vinyl sulfone in water at ambient temperature was studied. In these reactions, formation of both 1 : 1 and 1 : 2 adducts is possible.

Bifunctional heterogeneous catalysis of silica-alumina-supported tertiary amines with controlled acid-base interactions for efficient 1,4-addition reactions

We report the first tunable bifunctional surface of silica-aluminasupported tertiary amines (SA-NEt2) active for catalytic 1,4-addition reactions of nitroalkanes and thiols to electron-deficient alkenes. The 1,4-addition reaction of nitroalkanes to electron-deficient alkenes is one of the most useful carbon-carbon bond-forming reactions and applicable toward a wide range of organic syntheses. The reaction between nitroethane and methyl vinyl ketone scarcely proceeded with either SA or homogeneous amines, and a mixture of SA and amines showed very low catalytic activity. In addition, undesirable side reactions occurred in the case of a strong base like sodium ethoxide employed as a catalytic reagent. Only the present SA-supported amine (SA-NEt2) catalyst enabled selective formation of a double-alkylated product without promotions of side reactions such as an intramolecular cyclization reaction. The heterogeneous SA-NEt2 catalyst was easily recovered from the reaction mixture by simple filtration and reusable with retention of its catalytic activity and selectivity. Fur-thermore, the SA-NEt2 catalyst system was applicable to the addition reaction of other nitroalkanes and thiols to various electron-deficient alkenes. The solid-state magic-angle spinning (MAS) NMR spectroscopic analyses, including variable-contact-time 13C cross-polarization (CP)/MAS NMR spectroscopy, revealed that acid-base interactions between surface acid sites and immobilized amines can be controlled by pretreatment of SA at different temperatures. The catalytic activities for these addition reactions were strongly affected by the surface acid-base interactions. 2009 Wiley-VCH Verlag GmbH & Co. KGaA.