2613-89-0

Basic information

• Product Name: Phenylmalonic acid
• Synonyms: PHENYLPROPANEDIOC ACID;PHENYLMALONIC ACID;RARECHEM AL BE 1370;phenyl-propanedioicaci;1-Hydroxy-4-(P-Tolyamino)Anthraquinone;alpha-Carboxyphenylaceticacid;Phenylpropanedionicacid;PHENYLPROPANEDIOIC ACID
• CAS NO: 2613-89-0
• Molecular Formula: C₉H₈O₄
• Molecular Weight: 180.16
• EINECS: 220-044-6
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Carboxylic Acid Monomers;Monomers;Polymer Science
• Mol File: 2613-89-0.mol
• Article Data: 16

Chemical Properties

• Melting Point: 149-152 °C (dec.)(lit.)
• Boiling Point: 272.96°C (rough estimate)
• Flash Point: 187.5 °C
• Appearance: white to off-white crystalline powder
• Density: 1.2933 (rough estimate)
• Vapor Pressure: 6.63E-06mmHg at 25°C
• Refractive Index: 1.4500 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: pK1:2.58;pK2:5.03 (25°C)
• Water Solubility: soluble
• BRN: 2048729
• CAS DataBase Reference: Phenylmalonic acid(CAS DataBase Reference)
• NIST Chemistry Reference: Phenylmalonic acid(2613-89-0)
• EPA Substance Registry System: Phenylmalonic acid(2613-89-0)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-22
• Safety Statements: 26-36-24/25
• WGK Germany: 3
• Hazardous Substances Data: 2613-89-0(Hazardous Substances Data)

Usage

Description

Phenylmalonic acid is a white to off-white crystalline powder with chemical properties that make it a valuable starting material in the synthesis of various compounds.

Uses

Used in Pharmaceutical Industry:
Phenylmalonic acid is used as a starting material for the synthesis of Sodium Indanylcarbinicillin (S635000), a compound that has demonstrated the ability to reduce blood pressure in mammals. Additionally, Sodium Indanylcarbinicillin has been utilized as a β-lactam antibiotic, highlighting the importance of Phenylmalonic acid in the development of pharmaceuticals for treating hypertension and bacterial infections.

InChI:InChI=1/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)/p-2

Upstream product

• 37434-59-6 dimethyl 2-phenylmalonate 
• 83-13-6 diethyl 2-phenylmalonate 
• 108-88-3 toluene 
• 103-82-2 phenylacetic acid 
• 1623-99-0 phenyl sodium 
• 71-43-2 benzene 
• 1807-69-8 2-diazo-3-oxo-3-phenyl-propionic acid methyl ester 
• 98-87-3 benzylidene dichloride 
• 124-38-9 carbon dioxide 
• 20279-16-7 3-hydroxydibenzofuran 
• 60-29-7 diethyl ether 
• 111-65-9 octane 
• 1822-71-5 n-pentylsodium 
• 114-70-5 sodium phenylacetate 

Downstream Products

• 7391-66-4 1,3-dimethyl-5-phenyl-pyrimidine-2,4,6(1H,3H,5H)-trione 
• 103-82-2 phenylacetic acid 
• 15231-78-4 2.2-dimethyl-5-phenyl-1,3-dioxane-4,6-dione 
• 37818-48-7 2-Phenyl-propanedioyl dichloride 
• 112081-08-0 chloro-phenyl-malonyl chloride 
• 70882-17-6 bromophenylmalonic acid 
• 112116-87-7 phenyl-malonic acid di-m-tolyl ester 
• 6286-14-2 3-dimethylamino-2-phenyl-propionic acid 
• 855183-94-7 N,N'-phenylmalonyl-bis-carbamic acid diethyl ester 
• 3426-01-5 1,4-diphenyl-pyrazolidine-3,5-dione 
• 92795-31-8 2,5-diphenyl-[1,3]thiazine-4,6-dione 
• 497-25-6 dimethylenecyclourethane 
• 80372-12-9 Bis-trimethylsilyl phenylmalonate 
• 115127-12-3 1,3-dibenzyl-5-phenyl-pyrimidine-2,4-6(1H,3H,5H)-trione 

Relevant articles and documents

Ni-Catalyzed enantioselective reductive arylcyanation/cyclization of: N -(2-iodo-aryl) acrylamide

A Ni/(S,S)-BDPP-catalyzed intramolecular Heck cyclization of N-(2-iodo-aryl) acrylamide with 2-methyl-2-phenylmalononitrile was developed to give oxindoles with good enantioselectivities. We found that utilizing such an electrophilic cyanation reagent cou

Pyrimidinium compound, and preparation method and application thereof

The invention relates to a pyrimidinium compound, and a preparation method and an application thereof, and concretely relates to a pyrimidinium compound represented by formula (B2-A) or a stereoisomer, a nitrogen oxide and a salt thereof, an application of the above compounds as insecticides in agriculture, a form of an insecticide composition of the compound, and a method for controlling pests byusing the compounds or the composition. In the formula (B2-A), U, L, R, R, R, R, R, R, R, o and w have the meanings described in the invention.

Asymmetric Synthesis of α-Trifluoromethylthio-β-Amino Acids under Phase Transfer Catalysis

The first asymmetric α-trifluoromethylthiolation of 2-substituted isoxazolidin-5-ones was developed using Maruoka type N-spiro ammonium catalysts under phase-transfer conditions. The resulting products, containing a trifluoromethylthiolated quaternary chiral carbon, were obtained in moderate to good yields and up to 98:2 enantiomeric ratio. Moreover, the easy N-O bond cleavage provided access to undescribed α-trifluoromethylthio-β2,2-amino acids, with promising applications in biochemistry and medicinal chemistry.