113496-14-3

Basic information

• Product Name: 3-PROPIONYLOXYBENZOICACID
• Synonyms: 3-PROPIONYLOXYBENZOICACID;Methyl 3-carboxyphenyl acetate;3-(2-methoxy-3-oxoethyl)benzoic acid;3-(2-Methoxy-2-oxoethyl)benzoic acid;Benzeneacetic acid, 3-carboxy-, 1-methyl ester
• CAS NO: 113496-14-3
• Molecular Formula: C₁₀H₁₀O₄
• Molecular Weight: 194.18
• Mol File: 113496-14-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 92-93 °C
• Boiling Point: 152-153 °C(Press: 10 Torr)
• Appearance: /
• Density: 1.254±0.06 g/cm3(Predicted)
• PKA: 4.07±0.10(Predicted)
• CAS DataBase Reference: 3-PROPIONYLOXYBENZOICACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-PROPIONYLOXYBENZOICACID(113496-14-3)
• EPA Substance Registry System: 3-PROPIONYLOXYBENZOICACID(113496-14-3)

Safety Data

• Hazardous Substances Data: 113496-14-3(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 2084-13-1 3-carboxymethyl-benzoic acid 
• 124-41-4 sodium methylate 
• 203805-66-7 8-Oxo-bicyclo[4.2.0]octa-1⁽⁶⁾,2,4-triene-2-carboxylic acid 
• 1878-67-7 3-Bromophenylacetic acid 
• 150529-73-0 methyl 2-(3-bromophenyl)acetatee 
• 52798-00-2 (3-cyano-phenyl)-acetic acid methyl ester 

Downstream Products

• 1338367-36-4 methyl [3-(chlorocarbonyl)phenyl]acetate 
• 1338367-37-5 C₂₆H₂₆N₂O₅ 
• 1338367-33-1 (3-{[(4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}phenyl)amino]carbonyl}phenyl)acetic acid 

Relevant articles and documents

Pyridineacetamide derivative serving as CDK inhibitor, and preparation method and application thereof

The invention belongs to the technical field of pyridineacetamide derivatives, and particularly relates to a pyridineacetamide derivative serving as a CDK inhibitor and a preparation method and application of the pyridine acetamide derivative. The pyridineacetamide derivative shows excellent CDK9/CDK7 enzyme inhibitory activity, and can be used for preparing drugs used for treating cancers, especially hematologic cancers including acute myeloid leukemia, multiple myeloma, chronic lymphocytic leukemia, follicular lymphoma and the like and solid tumors such as breast cancer, prostate cancer, ovarian cancer, hepatocellular carcinoma, pancreatic cancer, kidney cancer, stomach cancer, colorectal cancer, lung cancer and the like.

Regioselectivity of the Base-Induced Ring Cleavage of 1-Oxygenated Derivatives of Cyclobutabenzene

Oxy anions 3 generated from 1,2-dihydrocyclobutabenzen-1-ones 1 through addition of a charged nucleophile or from 1-hydroxy-1,2-dihydrocyclobutabenzenes 2 by deprotonation with base lead to stable products through distal and/or proximal cleavage of the strained four-membered ring via benzyl carbanion 4 and/or aryl carbanion 5. A systematic study of this process reveals the relative stability of the two isomeric carbanions 4 and 5 as a key factor in determining the course of the ring-cleavage reaction. While benzyl carbanions 4 can be trapped with carbon electrophiles, attempts at trapping aryl carbanions 5 with electrophiles other than H+ failed. In protic solvents, the magnesium salt of the tertiary alcohol 2 shows an increased rate of proximal cleavage as compared to its alkali salts. From this, we conclude that, in contrast to benzyl carbanions 4, free aryl carbanions 5 are of transient existence only. Proximal C,C-bond cleavage seems to occur either through protonation of 5 from a fast, reversible equilibrium 3?5 in which 3 strongly predominates, or in protic solvents possibly even through a rate-limiting protonation of 3 at the aromatic C-atom, bypassing free anion 5 altogether. Thus, additional factors other than just the relative stability of isomeric carbanions 4 and 5 are of importance in determining the regiochemistry of the base-induced C,C-bond cleavage in ketones 1 and in alcohols 2.