Methyl 4-(4-formyl-2-methoxyphenoxy)butanoate

Base Information

• Chemical Name: Methyl 4-(4-formyl-2-methoxyphenoxy)butanoate
• CAS No.: 176375-41-0
• Molecular Formula: C13H16O5
• Molecular Weight: 252.267
• DSSTox Substance ID: DTXSID60444446
• Nikkaji Number: J1.240.728I
• Wikidata: Q82262583
• Mol file: 176375-41-0.mol

Synonyms:176375-41-0;METHYL 4-(4-FORMYL-2-METHOXYPHENOXY)BUTANOATE;Butanoic acid, 4-(4-formyl-2-methoxyphenoxy)-, methyl ester;4-(4-formyl-2-methoxyphenoxy)-butyric acid methyl ester;SCHEMBL3934768;DTXSID60444446;FJAKFRLDCQWYFJ-UHFFFAOYSA-N;Methyl 4-(4-formyl-2-methoxyphenoxy)butyrate;Methyl 4-(4'-formyl-2'-methoxyphenoxy)butanoate;A1-43931;4-(2-Methoxy-4-formylphenoxy)butanoic acid methyl ester;4-(4-formyl-2-methoxyphenoxy)butanoic acid methyl ester;4-(4-Formyl-2-methoxy-phenoxy)-butyric acid methyl ester

Chemical Property of Methyl 4-(4-formyl-2-methoxyphenoxy)butanoate

Chemical Property:

• PSA: 61.83000
• LogP: 1.83970
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 252.09977361
• Heavy Atom Count: 18
• Complexity: 266

Purity/Quality:

99.90% ^*data from raw suppliers

Methyl4-(4-formyl-2-methoxyphenoxy)butanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=O)OCCCC(=O)OC

Technology Process of Methyl 4-(4-formyl-2-methoxyphenoxy)butanoate

There total 2 articles about Methyl 4-(4-formyl-2-methoxyphenoxy)butanoate 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: 95.0%

Methyl 4-bromobutyrate (4897-84-1) + vanillin (121-33-5,8014-42-4) → 4-(4-formyl-2-methoxyphenoxy)butanoic acid methyl ester (176375-41-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 6h;

Reference yield: 80.0%

methyl 4-chlorobutyrate (3153-37-5) + vanillin (121-33-5,8014-42-4) → 4-(4-formyl-2-methoxyphenoxy)butanoic acid methyl ester (176375-41-0)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; potassium carbonate; In acetonitrile; for 2h; Heating;

DOI:10.1021/jo951550w

Reference yield: 100.0%

4-(4-formyl-2-methoxyphenoxy)butanoic acid methyl ester (176375-41-0) → 4-(4-formyl-2-methoxy-5-nitrophenoxy)butanoic acid methyl ester (176375-42-1)

Guidance literature:

With potassium nitrate; trifluoroacetic acid; at 0 - 20 ℃; for 1h;

upstream raw materials:

methyl 4-chlorobutyrate

vanillin

Methyl 4-bromobutyrate

Downstream raw materials:

4-(4-formyl-2-methoxyphenoxy)butyric acid

4-(4-formyl-2-methoxy-5-nitrophenoxy)butanoic acid methyl ester

4-[5-amino-4-((2S)-2-hydroxymethylpyrrolidine-1-carbonyl)-2-methoxyphenoxy]butanoic acid methyl ester

4-[4-((2S)-2-hydroxymethylpyrrolidine-1-carbonyl)-2-methoxy-5-nitrophenoxy]butanoic acid methyl ester