Benzoic acid, 4-methoxy-, 1-propynyl ester

Base Information

• Chemical Name: Benzoic acid, 4-methoxy-, 1-propynyl ester
• CAS No.: 113779-40-1
• Molecular Formula: C11H10O3
• Molecular Weight: 190.199
• Mol file: 113779-40-1.mol

Synonyms:

Chemical Property of Benzoic acid, 4-methoxy-, 1-propynyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-methoxy-, 1-propynyl ester

There total 2 articles about Benzoic acid, 4-methoxy-, 1-propynyl 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: 44.0%

[bis-(p-methoxybenzoyloxy)iodo]benzene (28237-96-9) + prop-1-yne (74-99-7) → 1-propynyl 4-methoxybenzoate (113779-40-1)

Guidance literature:

With n-butyllithium; t-butylnitrite; In tetrahydrofuran; at -78 ℃;

DOI:10.1021/ja00218a043

Reference yield:

[bis(acetoxy)iodo]benzene (3240-34-4) → 1-propynyl 4-methoxybenzoate (113779-40-1)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorobenzene / 50 - 55 °C

2: 44 percent / n-BuLi, t-BuNO / tetrahydrofuran / -78 °C

With n-butyllithium; t-butylnitrite; In tetrahydrofuran; chlorobenzene;

DOI:10.1021/ja00218a043

Reference yield:

1-propynyl 4-methoxybenzoate (113779-40-1) → 2-oxopropyl 4-methoxybenzoate (101395-49-7) + 4-methoxybenzoic acid (100-09-4)

Guidance literature:

With sodium hydroxide; at 25 ℃; Rate constant; Mechanism; var. pH; deuterium isotope effect;

DOI:10.1021/ja00180a033

upstream raw materials:

[bis-(p-methoxybenzoyloxy)iodo]benzene

prop-1-yne

[bis(acetoxy)iodo]benzene

Downstream raw materials:

2-oxopropyl 4-methoxybenzoate

4-methoxybenzoic acid