18979-60-7

Basic information

• Product Name: 4-Propylresorcinol
• Synonyms: 4-N-PROPYLRESORCINOL;4-PROPYLRESORCINOL;4-PROPYLBENZENE-1,3-DIOL;4-propyl-1,3-benzenediol;Einecs 242-714-7;4-Propylbenzene-1,3-diol [4-propylresorcinol]
• CAS NO: 18979-60-7
• Molecular Formula: C₉H₁₂O₂
• Molecular Weight: 152.19
• EINECS: 242-714-7
• Product Categories: Pharmaceutical Raw Materials;Miscellaneous;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het
• Mol File: 18979-60-7.mol
• Article Data: 9

Chemical Properties

• Melting Point: 82.5°C
• Boiling Point: 234.66°C (rough estimate)
• Flash Point: 139.2 °C
• Appearance: /
• Density: 1.0505 (rough estimate)
• Refractive Index: 1.4024 (estimate)
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: 9.82±0.18(Predicted)
• CAS DataBase Reference: 4-Propylresorcinol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Propylresorcinol(18979-60-7)
• EPA Substance Registry System: 4-Propylresorcinol(18979-60-7)

Safety Data

• Hazardous Substances Data: 18979-60-7(Hazardous Substances Data)

Usage

Uses

4-Propylbenzene-1,3-diol is a component of the fractional distillate of hydrothermal liquefaction of biomass.

InChI:InChI=1/C17H14ClNO4/c1-2-23-17(22)16(21)19-14-9-8-12(18)10-13(14)15(20)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,19,21)

Upstream product

• 1616-52-0 4-allyl-1,3-dihydroxybenzene 
• 2999-19-1 2,4-dipropionyl-resorcinol 
• 7647-01-0 hydrogenchloride 
• 5792-36-9 2',4'-dihydroxypropiophenone 
• 64-17-5 ethanol 
• 97-53-0 4-allylguaiacol 
• 54494-87-0 resorcinol; sodium-compound 
• 1616-51-9 3-allyloxyphenol 
• 108-46-3 recorcinol 
• 85131-64-2 1-(5-chloro-2,4-dihydroxyphenyl)propan-1-one 

Downstream Products

• 37470-84-1 2,4-dihydroxy-5-propyl-benzaldehyde 
• 96661-12-0 2,4-dihydroxy-5-propyl-deoxybenzoin 
• 63411-87-0 1-(2,4-dihydroxy-5-propylphenyl)ethanone 
• 714287-94-2 2,4-dihydroxy-5-propyl-benzophenone 
• 109397-49-1 3-phenethyloxy-4-propyl-phenol 
• 65239-67-0 1-(2,4-Dihydroxy-5-propyl-phenyl)-2,2,2-trifluoro-ethanone 
• 159647-54-8 2-Benzo[1,3]dioxol-5-yl-1-(2,4-dihydroxy-5-propyl-phenyl)-ethanone 
• 210639-67-1 α-(1-methyl-2-benzimidazolyl)-2,4-dihydroxy-5-propylacetophenone 
• 85681-95-4 5-amino-2-propylphenol 
• 137811-96-2 1-(2,4-dihydroxy-5-propylphenyl)-2-(4-methylthiazol-2-yl)ethan-1-one 
• 1532534-40-9 2-(2-chlorophenoxy)-1-(2,4-dihydroxy-5-propylphenyl)ethanone 
• 1532534-39-6 1-(2,4-dihydroxy-5-propylphenyl)-2-(3-fluorophenoxy)ethanone 
• 1532534-59-0 4-(2-(2,4-dihydroxy-5-propylphenyl)-2-oxoethoxy)benzoic acid 
• 1532534-38-5 1-(2,4-dihydroxy-5-propylphenyl)-2-phenoxyethanone 

Relevant articles and documents

Inhibition of tyrosinase by flavonoids, stilbenes and related 4- substituted resorcinols: Structure-activity investigations

Several flavonoids, stilbenes and related 4-substituted resorcinols, obtained from Artocarpus incisus and other plants or synthesized, were tested for their inhibitory activity against tyrosinase. The structure-activity relationships suggested that specific natural or synthesized compounds having the 4-substituted resorcinol skeleton have potent tyrosinase inhibitory ability. Kinetic studies have indicated that specific compounds having the 4- substituted resorcinol skeleton exhibit competitive inhibition of the oxidation of DL-β-(3,4-dihydroxyphenyl)alanine (DL-DOPA) by mushroom tyrosinase. These findings could lead to the design and discovery of new tyrosinase inhibitors.

Discovery and SAR study of hydroxyacetophenone derivatives as potent, non-steroidal farnesoid X receptor (FXR) antagonists

Compound 1 (IC50 = 35.2 ± 7.2 μM), a moderate FXR antagonist was discovered via high-throughput screening. Structure-activity relationship studies indicated that the shape and the lipophilicity of the substituents of the aromatic ring affect the activity dramatically, increasing the shape and the lipophilicity of the substituents of the aromatic ring enhances the potency of FXR antagonists. Especially, when the OH at C2 position of the aromatic ring was replaced by the OBn substituent (analog 2b), its activity could be improved to IC50 = 1.1 ± 0.1 μM. Besides, the length of the linker and the tetrazole structure are essential for retaining the activity.

ANTI-VIRULENCE COMPOSITIONS AND METHODS

A method of reducing the virulence of a bacterium that expresses accessory gene regulator A (AgrA) or an ortholog of AgrA includes administering to the bacterium an amount of a pharmaceutical composition effective to inhibit the synthesis of one or more virulence factors by the bacterium, the pharmaceutical composition including an AgrA antagonist.