144693-65-2

Basic information

• Product Name: 4-ETHYNYLBENZOIC ACID SODIUM SALT
• Synonyms: 4-ETHYNYLBENZOIC ACID SODIUM SALT;SODIUM 4-ETHYNYLBENZOATE;(4-Carboxyphenyl)acetylene sodium salt~Sodium 4-ethynylbenzoate;(4-Carboxyphenyl)acetylenesodiumsalt
• CAS NO: 144693-65-2
• Molecular Formula: C₉H₅O₂*Na
• Molecular Weight: 168.12
• EINECS: -0
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
• Mol File: 144693-65-2.mol
• Article Data: 1

Chemical Properties

• Appearance: Light brown solid
• BRN: 5836538
• CAS DataBase Reference: 4-ETHYNYLBENZOIC ACID SODIUM SALT(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ETHYNYLBENZOIC ACID SODIUM SALT(144693-65-2)
• EPA Substance Registry System: 4-ETHYNYLBENZOIC ACID SODIUM SALT(144693-65-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 144693-65-2(Hazardous Substances Data)

Usage

General Description

4-Ethynylbenzoic acid sodium salt, also known by the CAS number 18620-86-5, is a chemical compound with the molecular formula C9H5NaO2. It is a sodium salt derivative of 4-ethynylbenzoic acid, which is a derivative of benzoic acid. 4-ETHYNYLBENZOIC ACID SODIUM SALT is a white to off-white solid that is commonly used as an intermediate in the synthesis of pharmaceuticals and organic compounds. It is also used in the production of dyes and pigments. 4-Ethynylbenzoic acid sodium salt is a key building block in organic synthesis and is often utilized as a reagent in various chemical reactions. Its ability to react with a wide range of other chemicals makes it a versatile compound with many potential applications in the pharmaceutical and chemical industries.

InChI:InChI=1/C9H6O2.Na/c1-2-7-3-5-8(6-4-7)9(10)11;/h1,3-6H,(H,10,11);/q;+1/p-1

Upstream product

• 619-44-3 methyl 4-iodobenzoate 
• 75867-41-3 4-trimethylsilanylethynyl-benzoic acid methyl ester 

Downstream Products

• 894792-99-5 4-[1-(2-fluoro-ethyl)-1H-[1,2,3]triazol-4-yl]-benzoic acid 
• 255850-51-2 p-acetylenyl-N,N-diethylbenzamide 
• 1250873-98-3 Ru(CH=CHPh)(4-ethynylbenzoato)(CO)(P(i)Pr₃)2 
• 1250873-99-4 Ru(CH=CHCF₃)(4-ethynylbenzoato)(CO)(P(i)Pr₃)2 
• 728878-24-8 (2S,3R)-2-(4-ethynylbenzoylamino)-3-hydroxybutanoic acid methyl ester 
• 1048973-87-0 4-(1,3-dodecadiynyl)benzoic acid 
• 1325208-69-2 4-(1,3-tridecadiynyl)benzoic acid 
• 1048973-89-2 4-(1,3-hexadecadiynyl)benzoic acid 
• 1325208-71-6 4-(1,3-pentadecadiynyl)benzoic acid 
• 1325208-73-8 4-(1,3-octadecadiynyl)benzoic acid 
• 1048973-90-5 4-(1,3-icosadiynyl)benzoic acid 
• 1325208-72-7 4-(1,3-heptadecadiynyl)benzoic acid 
• 728878-11-3 (2S,3R)-2-[4-(4-formylphenylethynyl)benzoylamino]-3-hydroxybutyric acid methyl ester 
• 728878-12-4 (2S,3R)-3-hydroxy-2-[4-(4-morpholin-4-ylmethylphenylethynyl)benzoylamino]butyric acid methyl ester 

Relevant articles and documents

Exploring the UDP pocket of LpxC through amino acid analogs

Lipopolysaccharide (LPS) biosynthesis is an attractive antibacterial target as it is both conserved and essential for the survival of key pathogenic bacteria. Lipid A is the hydrophobic anchor for LPS and a key structural component of the outer membrane of Gram-negative bacteria. Lipid A biosynthesis is performed in part by a unique zinc dependent metalloamidase, LpxC (UDP-3-O-(R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase), which catalyzes the first non-reversible step in lipid A biosynthesis. The UDP portion of the LpxC substrate-binding pocket has been relatively unexplored. We have designed and evaluated a series of hydroxamate based inhibitors which explore the SAR of substitutions directed into the UDP pocket with a range of substituted α-amino acid based linkers. We also provide the first wild type structure of Pseudomonas aeruginosa LpxC which was utilized in the design of many of these analogs.