3318-61-4

Basic information

• Product Name: 1-PHENYL-2,4-PENTANEDIONE
• Synonyms: 1-PHENYL-2,4-PENTANEDIONE;1-phenylpentane-2,4-dione;(Phenylacetyl)acetone;1-Phenyl-2,4-pentanedione,96%
• CAS NO: 3318-61-4
• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.21
• EINECS: 222-015-3
• Mol File: 3318-61-4.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 150-153℃
• Flash Point: 103.2±17.4℃
• Appearance: /
• Density: 1.061±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.00446mmHg at 25°C
• Refractive Index: 1.511
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-PHENYL-2,4-PENTANEDIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PHENYL-2,4-PENTANEDIONE(3318-61-4)
• EPA Substance Registry System: 1-PHENYL-2,4-PENTANEDIONE(3318-61-4)

Safety Data

• Hazardous Substances Data: 3318-61-4(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 29, p. 3511, 1964 DOI: 10.1021/jo01035a015

InChI:InChI=1/C11H12O2/c1-9(12)7-11(13)8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

Upstream product

• 1007-32-5 benzyl ethyl ketone 
• 141-78-6 ethyl acetate 
• 103-79-7 1-phenyl-acetone 
• 101-97-3 Ethyl 2-phenylethanoate 
• 67-64-1 acetone 
• 123-54-6 acetylacetone 
• 103-80-0 phenylacetyl chloride 
• 4346-18-3 phenyl butanoate 
• 74143-89-8 5-phenyl-3,4-pentadien-2-one 
• 122-78-1 phenylacetaldehyde 
• 61077-65-4 1-phenylpent-4-en-2-ol 
• 206446-98-2 4-hydroxy-5-phenylpentan-2-one 
• 101-41-7 benzeneacetic acid methyl ester 
• 10521-97-8 5-phenyl-pent-3-en-2-one 

Downstream Products

• 855642-09-0 4-benzyl-2-hydroxy-6-methyl-isophthalic acid diethyl ester 
• 6096-61-3 5-Phenyl-2,4-nonandion 
• 875249-38-0 4-benzyl-2-hydroxy-6-methyl-isophthalic acid 
• 28074-21-7 2-Benzyl-1,5-diphenyl-4-methyl-pentan-2,4-diol 
• 28074-20-6 4-Benzyl-4-hydroxy-5-phenyl-pentan-2-on 
• 53189-96-1 4-Hydroxy-4-methyl-1,5-diphenyl-pentan-2-one 
• 64-19-7 acetic acid 
• 103-79-7 1-phenyl-acetone 
• 3594-39-6 5-benzyl-3-methyl-2H-[1,2,6]thiadiazine 1,1-dioxide 
• 64648-09-5 4'-Benzyl-2'-hydroxy-6'-methyl-3'-phenylacetophenon 

Relevant articles and documents

NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS

The present invention relates to novel dihydropyridine derivatives of formula (I): as modulators of nuclear receptors selected from androgen receptor and glucocorticoid receptor, to processes for their preparation, to pharmaceutical compositions comprising said compounds and to the use of said for manufacturing a medicament for the treatment of pathological conditions or diseases that can improve by modulation of androgen receptor and/or glucocorticoid receptor, selected from cancer, metastasizing cancers, benign prostate hyperplasia, polycystic ovary syndrome (PCOS), hair loss, hirsutism, acne, hypogonadism, muscle wasting diseases, cachexia, Cushing's syndrome, anti-psychotic drug induced weight gain, obesity, post-traumatic stress disorder and alcoholism.

Selective access to all four diastereomers of a 1,3-amino alcohol by combination of a keto reductase- and an amine transaminase-catalysed reaction

The biocatalytic synthesis of chiral amines has become a valuable addition to the chemists' toolbox. However, the efficient asymmetric synthesis of functionalised amines bearing more than one stereocentre, such as 1,3-amino alcohols, remains challenging. By employing a keto reductase (KRED) and two enantiocomplementary amine transaminases (ATA), we developed a biocatalytic route towards all four diastereomers of 4-amino-1-phenylpentane-2-ol as a representative molecule bearing the 1,3-amino alcohol functionality. Starting from a racemic hydroxy ketone, a kinetic resolution using an (S)-selective KRED provided optically active hydroxy ketone (86% ee) and the corresponding diketone. Further transamination of the hydroxy ketone was performed by either an (R)- or an (S)-selective ATA, yielding the (2R,4R)- and (2R,4S)-1,3-amino alcohol diastereomers. The remaining two diastereomers were accessible in two subsequent asymmetric steps: the diketone was reduced regio- and enantioselectively by the same KRED, which yielded the (S)-configured hydroxy ketone. Eventually, the subsequent transamination of the crude product with (R)- and (S)-selective ATAs yielded the remaining (2S,4R)- and (2S,4S)-diastereomers, respectively.

PRODUCTION METHOD OF PYRIDAZINONE COMPOUNDS

The present invention provides an industrially advantageous method of producing a pyridazinone compound. The present invention relates to the following method of producing a pyridazinone compound: Formula (II), (IIIa), (IV) or (IV ), Formula (IIIb), (Vb) or (V b), Formula (VI), (I) or (I ). wherein each symbol is as described in the specification.