Benzoic acid, 4-(2-formylbutyl)-, ethyl ester (9CI)

Base Information

• Chemical Name: Benzoic acid, 4-(2-formylbutyl)-, ethyl ester (9CI)
• CAS No.: 159691-43-7
• Molecular Formula: C14H18 O3
• Molecular Weight: 234.29092
• Mol file: 159691-43-7.mol

Synonyms:Benzoic acid, 4-(2-formylbutyl)-, ethyl ester (9CI)

Chemical Property of Benzoic acid, 4-(2-formylbutyl)-, ethyl ester (9CI)

Chemical Property:

• PSA: 43.37000
• LogP: 2.63090

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-(2-formylbutyl)-, ethyl ester (9CI)

There total 2 articles about Benzoic acid, 4-(2-formylbutyl)-, ethyl ester (9CI) 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:

ethylacrolein (922-63-4) → ethyl 4-(3'-oxo-2'-ethylprop-1'-yl)benzoate (159691-43-7)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether / 0.17 h / 0 °C

2: N-methylpyrrolidone, NaHCO₃, PdCl₂ / 5 h / 150 °C

With 1-methyl-pyrrolidin-2-one; lithium aluminium tetrahydride; sodium hydrogencarbonate; palladium dichloride; In diethyl ether;

DOI:10.1021/ja00104a008

Reference yield:

2-Methylene-1-butanol (4435-54-5) + 4-iodobenzoic acid ethyl ester (51934-41-9) → ethyl 4-(3'-oxo-2'-ethylprop-1'-yl)benzoate (159691-43-7)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; sodium hydrogencarbonate; palladium dichloride; at 150 ℃; for 5h;

DOI:10.1021/ja00104a008

Reference yield:

methanol (67-56-1) + ethyl 4-(3'-oxo-2'-ethylprop-1'-yl)benzoate (159691-43-7) → 4-(2-Dimethoxymethyl-butyl)-benzoic acid ethyl ester (159691-44-8)

Guidance literature:

With camphor-10-sulfonic acid; trimethyl orthoformate; at 37 ℃; for 3h;

DOI:10.1021/ja00104a008

upstream raw materials:

2-Methylene-1-butanol

4-iodobenzoic acid ethyl ester

ethylacrolein

Downstream raw materials:

4-(2-Dimethoxymethyl-butyl)-benzoic acid ethyl ester

Refernces