625-04-7

Basic information

• Product Name: 4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE
• Synonyms: 4-amino-4-methyl-2-pentanon;4-Amino-4-methyl-2-pentanone;Diacetonamine;4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE;DIACETONAMINE HYDROGENOXALATE;DIACETONEAMINE HYDROGEN OXALATE;4-amino-4-methylpentan-2-one;2-Pentanone, 4-amino-4-methyl- (7CI,8CI,9CI)
• CAS NO: 625-04-7
• Molecular Formula: C₆H₁₃NO
• Molecular Weight: 115.17
• EINECS: 210-876-8
• Product Categories: ACETYLGROUP
• Mol File: 625-04-7.mol

Chemical Properties

• Melting Point: 125-130 °C (dec.)(lit.)
• Boiling Point: bp0.2 25°
• Flash Point: 56.2 °C
• Appearance: /
• Density: 0.9837 (rough estimate)
• Refractive Index: 1.4230 (estimate)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 8.84±0.25(Predicted)
• Merck: 13,2981
• CAS DataBase Reference: 4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE(625-04-7)
• EPA Substance Registry System: 4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE(625-04-7)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 625-04-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE is used as a reagent in the synthesis of various organic compounds, particularly for the production of pharmaceutical intermediates and specialty chemicals. Its versatile chemical properties make it a key component in the development of new drugs and bioactive compounds.
Used in Agrochemical Industry:
In the agrochemical sector, 4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE is utilized as a precursor in the preparation of various agrochemicals, contributing to the synthesis of effective and targeted pest control agents and other agricultural products.
Used in Organic Synthesis:
4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE is employed as a crucial building block in the synthesis of complex organic molecules, facilitating the creation of a diverse range of chemical compounds for various applications across different industries.

InChI:InChI=1S/C6H13NO/c1-5(8)4-6(2,3)7/h4,7H2,1-3H3

Upstream product

• 7664-41-7 ammonia 
• 67-64-1 acetone 
• 141-79-7 4-methyl-pent-3-en-2-one 
• 4158-85-4 2,2,5-trimethyl-1,3-dioxolan-4-one 
• 7647-01-0 hydrogenchloride 
• 826-36-8 2,2,6,6-Tetramethyl-4-piperidone 
• 625-03-6 4-amino-4-methylpentan-2-one oxalate 
• 41608-07-5 azido-4 methyl-4 pentanone-2 
• 27248-25-5 4-isothiocyanato-4-methylpentan-2-one 

Downstream Products

• 75813-07-9 N⁴-{3-[(3-Amino-1,3-dimethyl-butylamino)-methyl]-benzyl}-2-methyl-pentane-2,4-diamine 
• 75813-06-8 N⁴-{4-[(3-Amino-1,3-dimethyl-butylamino)-methyl]-benzyl}-2-methyl-pentane-2,4-diamine 
• 93537-19-0 4,4,6-trimethyl-2-styryl-4H-[1,3]oxazine 
• 91983-78-7 4-(1,1-dimethyl-3-oxo-butyl)-thiosemicarbazide 
• 53004-48-1 phenyl-(4,4,6-trimethyl-5,6-dihydro-4H-[1,3]thiazin-2-yl)-amine 
• 37723-86-7 N-(3-hydroxy-1,1-dimethyl-butyl)-N'-phenyl-thiourea 
• 91875-52-4 N-(3-hydroxy-1,1-dimethyl-butyl)-acetamide 
• 21586-21-0 2-methylpentane-2,4-diamine 
• 91956-61-5 4,4,6-trimethyl-2-phenyl-4H-[1,3]oxazine 
• 141-79-7 4-methyl-pent-3-en-2-one 
• 75813-16-0 C₂₈H₄₆N₄O₂ 
• 75813-15-9 C₂₈H₄₆N₄O₂ 
• 81827-18-1 N¹-<β-D-Galactopyranosyl>-N³-(2-methyl-4-oxopentyl-2)thiourea 
• 83323-91-5 N₁-(β-D-Glucopyranosyl)-N₃-(4-methyl-2-oxo-4-pentyl)thiourea 

Relevant articles and documents

Method for preparing triacetone amine

An improved method is used for preparing triacetone amine while recycling the by-products. This involves treating the crude product from triacetone amine preparation, which leads to an increase in the content of compounds which react readily with ammonia. This method enables efficient recycling of the by-products formed in the synthesis of triacetone amine.

Effect of Alkali Treatment of HY Zeolite on Continuous Synthesis of Triacetonamine

The continuous synthesis of triacetonamine from acetone and ammonia over HY was realized. Meanwhile, alkali-treated HY with different structure and acidities were prepared and examined. The results indicated that the acid sites, especially Br?nsted acid sites, played a vital role on the selectivity of triacetonamine and the conversion of acetone. It was further confirmed by X-ray diffraction (XRD), N2 adsorption and desorption experiments, IR spectra of adsorbed pyridine, and NH3 temperature-programmed desorption. Meanwhile, the generation mechanisms of triacetonamine and impurities were speculated.

The mechanism of catalyst deactivation and by-product formation in acetone ammoximation catalyzed by hollow titanium silicalite

The deactivation mechanism of hollow titanium silicalite (HTS) in aqueous ammoximation of acetone was investigated. Amines and polynitro-compounds, formed by alkaline autocatalytic and oxidative coupling reaction respectively, were determined to be the ma

Continuous synthesis of triacetonamine over sulfonic acid-functionalized mesoporous silicas

The continuous synthesis of triacetonamine from acetone and ammonia was realized over sulfonic acid-functionalized mesoporous silicas. These catalysts were characterized by TG, XPS, BET, elemental analysis and acid-base titration. The results indicated th

Methods and compositions for treating amyloid-related diseases

Methods, compounds, pharmaceutical compositions and kits are described for treating or preventing amyloid-related disease.

NEW SYNTHETIC "TRICKS". (Et3NH)(Sn(SPh)3) AND Bu2SnH2, TWO USEFUL REAGENTS FOR THE REDUCTION OF AZIDES TO AMINES

Treatment of Sn(SPh)2 with PhSH and Et3N affords a tin(II) complex, soluble in organic solvents, wich is the best reducing agent for azides reported so far.Bu2SnH2, although not so reactive, also shows several advantages with regard to the standard reducing agents for azides, such as its solubility in most solvents or its scarce reactivity with water.

Synthesis of Hexahydro-3,3,5,5,7-pentaalkyl-2H-1,4-diazepin-2-ones from 1,3-Diamines and Ketones

A new method for preparing mono- and bis(hexahydro-3,3,5,5,7-pentaalkyl-2H-1,4-diazepin-2-ones) is reported (Schemes I and II).The key step of this synthesis is the final one in which a 1,3-diamine is reacted with a ketone in the presence of sodium hydroxide, chloroform, and a phase-transfer catalyst (PTC).Bis(hexahydro-3,3,5,5,7-pentaalkyl-2H-1,4-diazepin-2-ones) are isolated as a mixture of diastereomers.Of these bis compounds, diastereomers of 1,1'-(1,2-ethanediyl)bis(hexahydro-3,3,5,5,7-pentamethyl-2H-1,4-diazepin-2-one) (5a) can be readily separated by a fractional recrystallization, or their diastereomeric distributions can be measured by 13C NMR.

RADICAL STABILIZING EFFECTS. A COMPARISON OF TRANSITION STATE EFFECTS (RATES OF AZOALKANE DECOMPOSITIONS) WITH CALCULATED (AB INITIO) PI SPIN DENSITIES

Rate studies on five azoalkanes (4a-e) have been studied to assess important radical stabilizing effects.MO calculations of spin densities for three radicals with pi systems are correlated with kinetic rates of radical formation.