13102-87-9

Basic information

• Product Name: 1-Propanone, 3-chloro-1-(2-hydroxy-5-methylphenyl)-
• CAS NO: 13102-87-9
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Mol File: 13102-87-9.mol

Chemical Properties

• CAS DataBase Reference: 1-Propanone, 3-chloro-1-(2-hydroxy-5-methylphenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Propanone, 3-chloro-1-(2-hydroxy-5-methylphenyl)-(13102-87-9)
• EPA Substance Registry System: 1-Propanone, 3-chloro-1-(2-hydroxy-5-methylphenyl)-(13102-87-9)

Safety Data

• Hazardous Substances Data: 13102-87-9(Hazardous Substances Data)

Usage

Appearance

White to light yellow solid

Melting point

82-84°C

Usage

Intermediate in the production of pharmaceuticals, manufacture of organic chemicals, reagent in organic synthesis, potential applications in agrochemicals, and synthesis of complex organic molecules

Toxicity

Low toxicity (but proper handling and safety precautions are necessary)

Upstream product

• 107-94-8 chloropropionic acid 
• 106-44-5 p-cresol 
• 94102-85-9 4-methylphenyl-3-chloropropanoate 
• 104-93-8 p-methylanizole 
• 625-36-5 2-chloropropionyl chloride 

Downstream Products

• 67901-82-0 7-hydroxy-4-methyl-indan-1-one 
• 220541-97-9 5-(2-hydroxy-5-methyl-phenyl)-3,4-dihydro-2H-pyrrole-2-carboxylic acid; hydrochloride 
• 220542-05-2 diethyl (acetylamino)<3-(2-hydroxy-5-methylphenyl)-3-oxopropyl>propanedioate 
• 39513-75-2 6-methyl-4-chromanone 

Relevant articles and documents

Operationally Simple and Selective One-Pot Synthesis of Hydroxyphenones: A Facile Access to SNARF Dyes

High selectivity is observed during a Friedel-Crafts acylation/demethylation cascade. In contrast to this cascade, oxygen-containing acylating reagents do not undergo the demethylation step. By the methodology elaborated here, an access is provided to important intermediates for the total synthesis of seminaphthorhodafluor (SNARF) dyes.

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Desazadesmethyldesferrithiocin analogues as orally effective iron chelators

Further structure-activity studies of desferrithiocin analogues are carried out. (S)-Desazadesmethyldesferrithiocin, 2-(2-hydroxyphenyl)-Δ2- thiazoline-4(S)-carboxylic acid, serves as the principal framework in the current paper. Desazadesmethyldesferrithiocin can be structurally altered with facility, and data are already available on its iron-clearing properties and toxicity parameters. Four different kinds of structural modifications of this framework are undertaken: introduction of hydroxy, carboxy, or methoxy groups on the aromatic ring; alteration of the thiazoline ring; increasing the distance between the ligand donor atoms; and benz-fusion of the aromatic rings. The structural modifications described are shown to have a tremendous impact on both the iron clearance and toxicity profiles of the desazadesmethyldesferrithiocin molecule. All of the compounds are assessed in a bile-duct-cannulated rodent model to determine iron clearance efficiency. Ligands which demonstrate an efficiency of greater than 2% are carried forward to the iron-overloaded primate for iron-clearing measurements. Ligands with efficiencies greater than 3% in the primate are then evaluated in a formal toxicity study in rodents. On the basis of the results of the present work, 2-(2,4-dihydroxyphenyl)-Δ2-thiazoline-4(S)-carboxylic acid is a promising candidate for clinical evaluation.