Ethyl 2-(4-methoxybenzyl)-3-oxobutyrate

Base Information

• Chemical Name: Ethyl 2-(4-methoxybenzyl)-3-oxobutyrate
• CAS No.: 36600-75-6
• Molecular Formula: C₁₄H₁₈O₄
• Molecular Weight: 250.295
• DSSTox Substance ID: DTXSID001270707
• Nikkaji Number: J259.134K
• Mol file: 36600-75-6.mol

Synonyms:ethyl 2-(4-methoxybenzyl)-3-oxobutyrate;36600-75-6;SCHEMBL854302;YQKWREJHOWIMQE-UHFFFAOYSA-N;DTXSID001270707;Ethyl2-(4-methoxybenzyl)-3-oxobutyrate;ethyl 2-(4-methoxybenzyl)-3-oxobutanoate;Ethyl alpha-acetyl-4-methoxybenzenepropanoate;alpha-(4-methoxybenzyl)-acetoacetic acid ethyl ester;2-(4-Methoxy-benzyl)-3-oxo-butyric acid ethyl ester

Chemical Property of Ethyl 2-(4-methoxybenzyl)-3-oxobutyrate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 280

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(CC1=CC=C(C=C1)OC)C(=O)C

Technology Process of Ethyl 2-(4-methoxybenzyl)-3-oxobutyrate

There total 15 articles about Ethyl 2-(4-methoxybenzyl)-3-oxobutyrate 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: 98.0%

p-methoxybenzyl acetate (104-21-2) + ethyl acetoacetate (141-97-9) → 2-(4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester (36600-75-6)

Guidance literature:

With proton-exchanged montmorillonite;

DOI:10.1016/j.tet.2014.01.064

Reference yield: 82.0%

ethyl acetoacetate (141-97-9) → 2-(4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester (36600-75-6)

Guidance literature:

ethyl acetoacetate; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.166667h; Inert atmosphere;

4-methoxybenzyl halide; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201904899

Reference yield: 79.0%

ethyl acetoacetate (141-97-9) + p-methoxybenzyl chloride (824-94-2) → 2-(4-methoxy-benzyl)-3-oxo-butyric acid ethyl ester (36600-75-6)

Guidance literature:

ethyl acetoacetate; With potassium tert-butylate; In tert-butyl alcohol; at 20 ℃; for 0.666667h;

p-methoxybenzyl chloride; In tert-butyl alcohol; at 50 ℃;

upstream raw materials:

p-Methoxybenzyl bromide

sodium ethyl acetylacetate enolate

benzene

p-methoxybenzyl chloride

Downstream raw materials:

2-(hydroxyimino)-3-(4-methoxyphenyl)propanoic acid

2-amino-5-(4-methoxy-benzyl)-6-methyl-3H-pyrimidin-4-one

C₂₀H₂₀N₃O₁₀^(1-)*C₆H₁₅N*H⁽¹⁺⁾

2-amino-5-(4-methoxy-benzyl)-6-methyl-3H-pyrimidin-4-one