4-ETHYNYL-BENZOIC ACID METHYL ESTER

Base Information

• Chemical Name: 4-ETHYNYL-BENZOIC ACID METHYL ESTER
• CAS No.: 3034-86-4
• Molecular Formula: C10H8O2
• Molecular Weight: 160.172
• Hs Code.: 2916399090
• Mol file: 3034-86-4.mol

Synonyms:Benzoicacid, p-ethynyl-, methyl ester (7CI,8CI);4-(Methoxycarbonyl)phenylacetylene;Methylp-ethynylbenzoate;Methyl 4-ethynylbenzoate;4-Ethynylbenzoic acid methyl ester;p-Ethynylbenzoic acid methyl ester;methyl 4-ethynylbenzoate;benzoic acid, 4-ethynyl-, methyl ester;methyl 4-ethynylbenzoate;

Chemical Property of 4-ETHYNYL-BENZOIC ACID METHYL ESTER

Chemical Property:

• Vapor Pressure: 0.0403mmHg at 25°C
• Melting Point: 103-105℃
• Refractive Index: 1.537
• Boiling Point: 239.4 °C at 760 mmHg
• Flash Point: 92 °C
• PSA: 26.30000
• Density: 1.11 g/cm³
• LogP: 1.45450
• Storage Temp.: 2-8°C
• Water Solubility.: Sparingly soluble in water (0.16 g/L at 25°C).

Purity/Quality:

≥99% ^*data from raw suppliers

Methyl 4-ethynylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Methyl 4-ethynylbenzoate is used as pharmaceutical intermediate.

Technology Process of 4-ETHYNYL-BENZOIC ACID METHYL ESTER

There total 34 articles about 4-ETHYNYL-BENZOIC ACID METHYL ESTER 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: 100.0%

methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate (33577-98-9) → 4-ethynylbenzoic acid methyl ester (3034-86-4)

Guidance literature:

With potassium phosphate; potassium hydroxide; In toluene; for 0.0833333h; Reagent/catalyst; Time; Inert atmosphere; Reflux;

DOI:10.1080/00397911.2012.744841

Reference yield: 99.0%

(Z)-4-(β-bromovinyl)benzoic acid methyl ester (356759-39-2) → 4-ethynylbenzoic acid methyl ester (3034-86-4)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; for 1h; microwave irradiation;

DOI:10.1016/j.tet.2005.02.043

Reference yield: 99.0%

methanol (67-56-1) + ethyl 4-(trimethylsilylethynyl)benzoate (150969-54-3) → 4-ethynylbenzoic acid methyl ester (3034-86-4)

Guidance literature:

With potassium carbonate; at 20 ℃; for 2h;

DOI:10.1002/chem.200902350

upstream raw materials:

methanol

1-carboxamido-4-ethynylbenzene

methyl 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate

methyl 4-(3-hydroxypropynyl)benzoate

Downstream raw materials:

1-Diphenylhydroxymethyl-4-(3',3'-diphenylhydroxy-1'-propinyl)-benzol

methyl 4-(4-oxo-4H-chromen-2-yl)benzoate

Z-2-<(4-methoxycarbonylphenyl)methylene>-3(2H)-benzofuranone

methyl 4-<<4'-(phenylethynyl)phenyl>ethynyl>benzoate