4-ETHYNYLBENZOIC ACID SODIUM SALT

Base Information

• Chemical Name: 4-ETHYNYLBENZOIC ACID SODIUM SALT
• CAS No.: 144693-65-2
• Molecular Formula: C9H6NaO2
• Molecular Weight: 168.127
• Hs Code.: 2916399090
• Mol file: 144693-65-2.mol

Synonyms:Benzoicacid, 4-ethynyl-, sodium salt (9CI);4-Ethynylbenzoic acid sodium salt;Sodium 4-ethynylbenzoate;(4-Carboxyphenyl)acetylene sodium salt;

Chemical Property of 4-ETHYNYLBENZOIC ACID SODIUM SALT

Chemical Property:

• Appearance/Colour: Light brown solid
• PSA: 40.13000
• LogP: 0.03140

Purity/Quality:

98%Min ^*data from raw suppliers

4-Ethynyl-benzoicAcidSodiumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-ETHYNYLBENZOIC ACID SODIUM SALT

There total 2 articles about 4-ETHYNYLBENZOIC ACID SODIUM SALT which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-trimethylsilanylethynyl-benzoic acid methyl ester (75867-41-3) → 4-ethynylbenzoic acid sodium salt (144693-65-2)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 18h;

DOI:10.1016/j.bmcl.2013.02.055

Reference yield:

methyl 4-iodobenzoate (619-44-3) → 4-ethynylbenzoic acid sodium salt (144693-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine; copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride / acetonitrile / 0.5 h / 20 °C / Inert atmosphere

1.2: 18 h / 20 - 100 °C / Inert atmosphere; Sealed tube

2.1: sodium hydroxide / ethanol / 18 h / 20 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; sodium hydroxide; In ethanol; acetonitrile;

DOI:10.1016/j.bmcl.2013.02.055

Reference yield: 100.0%

C35H46BrN3O2S2 (1418196-27-6) + 4-ethynylbenzoic acid sodium salt (144693-65-2) → C44H50N3O4S2(1-)*Na(1+) (1418196-28-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In N,N-dimethyl-formamide; at 60 ℃; for 15h;

DOI:10.1002/cplu.201200059

upstream raw materials:

methyl 4-iodobenzoate

4-trimethylsilanylethynyl-benzoic acid methyl ester

Downstream raw materials:

C₂₃H₂₁NO₆

4-[1-(2-fluoro-ethyl)-1H-[1,2,3]triazol-4-yl]-benzoic acid

p-acetylenyl-N,N-diethylbenzamide

Ru(CH=CHPh)(4-ethynylbenzoato)(CO)(P(i)Pr₃)2

Refernces