113225-21-1

Basic information

• Product Name: 1-{2-hydroxy-3-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4,6-dimethoxyphenyl}ethanone
• CAS NO: 113225-21-1
• Molecular Formula: C₁₆H₂₃NO₅
• Molecular Weight: 309.3575
• Mol File: 113225-21-1.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 440.1°C at 760 mmHg
• Flash Point: 220°C
• Density: 1.205g/cm³
• Vapor Pressure: 1.6E-08mmHg at 25°C
• Refractive Index: 1.557
• CAS DataBase Reference: 1-{2-hydroxy-3-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4,6-dimethoxyphenyl}ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-{2-hydroxy-3-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4,6-dimethoxyphenyl}ethanone(113225-21-1)
• EPA Substance Registry System: 1-{2-hydroxy-3-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4,6-dimethoxyphenyl}ethanone(113225-21-1)

Safety Data

• Hazardous Substances Data: 113225-21-1(Hazardous Substances Data)

Usage

Chemical structure

A complex structure with a central piperidine ring, a phenyl ring, and an ethanone backbone.

Central ring

Contains a piperidine ring with a hydroxy and methyl group attached to it.

Stereochemistry

The piperidine ring has a (3S,4R) configuration.

Phenyl ring

Has two methoxy groups and a hydroxy group attached to it.

Functional groups

Contains a ketone functional group attached to the ethanone backbone.

Potential applications

May have pharmaceutical applications due to its structural features.

Hydroxy and methoxy groups

These groups can contribute to the compound's pharmacological properties.

Further research

More research is needed to fully understand the potential uses of this chemical.

Upstream product

• 108-24-7 acetic anhydride 
• 113225-08-4 cis-3-Hydroxy-4-(2,4,6-trimethoxyphenyl)-1-methylpiperidine 
• 113225-19-7 (3S,4R)-1-methyl-4-(2,4,6-trimethoxyphenyl)-3-piperidinol 
• 113225-10-8 (+)-1-Methyl-4-(2,4,6-trimethoxyphenyl)-piperidin-3-one 
• 205506-14-5 (R)-1-methyl-4-(2,4,6-trimethoxyphenyl)-3-piperidinone 

Downstream Products

• 199589-10-1 (3S,4R)-2-[(2-chlorophenyl)thio]-8-(3-hydroxy-1-methyl-4-piperidinyl)-5,7-dimethoxy-4H-1-benzopyran-4-one 
• 199589-13-4 (3S,4R)-2-(2-chlorophenyl)-8-(3-hydroxy-1-methyl-4-piperidinyl)-5,7-dimethoxy-4H-1-benzopyran-4-one 
• 71294-60-5 (+)-cisa-5,7-dihydroxy-methyl-8-<4-(3-hydroxy-1-methyl)piperidinyl>-4H-1-benzopyran-4-one 

Relevant articles and documents

Thio- and oxoflavopiridols, cyclin-dependent kinase 1-selective inhibitors: Synthesis and biological effects

Flavopiridol analogues, thio- and oxoflavopiridols which contain a sulfur (16) or oxygen (18) atom tinker between a chromone ring and the hydrophobic side chain, are selective cyclin-dependent kinase 1 (CDK1) inhibitors with an IC50 of 110 and

4H-1-benzopyran-4-one compounds which have anti-inflamatory or immunodulating action

The present invention relates to novel 4H-1-benzopyran-4-one derivatives, to processes for the preparation thereof and to their use as anti-inflammatory, analgesic, immuno-suppressive and anti-allergic agents. In particular, the present invention relates to novel compounds of the formula I, STR1 in which R1 is hydrogen, alkyl having 1 to 6 carbon atoms, arly-C1 -C4 -alkyl, substituted C1 -C6 -alkyl, C3 -C6 -cycloalkyl, C3 -C6 -cycloalkyl-C1 -C4 -alkyl, C2 -C6 -alkenyl, C3 -C6 -alkynyl, aryl or carboxyl or an aldehyde or COO--C1 -C4 -alkyl group, R2 is hydrogen, alkyl having 1 to 6 carbon atoms, nitro, amino, di-C1 -C4 -alkylamino or a halogen, R3 is C1 -C4 -alkyl, substituted C1 -C4 -alkyl, hydroxyl, C1 -C4 -alkoxy, aryl-C1 -C4 -alkyl, nitro, amino, a C1 -C4 -alkylamino or di-C1 -C4 -alkylamino group or halogen, R4 is hydrogen, hydroxyl, C1 -C4 -alkyoxy, C1 -C4 -alkyoxycarbonyl, aryloxy, amino or a C1 -C4 -alkylamino or di-C1 -C4 -alkylamino group, R5 is hydrogen, C1 -C6 -alkyl, substituted C1 -C6 -alkyl, aryl-C1 -C4 -alkyl, C3 -C6 -cycloalkyl, C3 -C6 -cycloalkyl-C1 -C4 -alkyl, C1 -C4 -alkanoyl or aroyl, the aryl group being phenyl which is unsubstituted, monosubstituted or polysubstituted, m is an integer between 0 and 3 and n is an integer between 0 and 2, and to pharmacologically acceptable acid addition salts thereof.