4-(4-Formyl-2-methoxyphenoxy)butanoic acid

Base Information

• Chemical Name: 4-(4-Formyl-2-methoxyphenoxy)butanoic acid
• CAS No.: 174358-69-1
• Molecular Formula: C12H14O5
• Molecular Weight: 238.24
• DSSTox Substance ID: DTXSID00364912
• Wikidata: Q82149131
• Mol file: 174358-69-1.mol

Synonyms:4-(4-formyl-2-methoxyphenoxy)butanoic acid;174358-69-1;4-(4-formyl-2-methoxyphenoxy) butanoic acid;AO-854/15657015;SCHEMBL2559267;DTXSID00364912;BBL026121;STL373985;AKOS000104299;VS-08212

Chemical Property of 4-(4-Formyl-2-methoxyphenoxy)butanoic acid

Chemical Property:

• Boiling Point: 456.3±35.0 °C(Predicted)
• PKA: 4.59±0.10(Predicted)
• PSA: 72.83000
• Density: 1.232±0.06 g/cm3(Predicted)
• LogP: 1.75130
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 238.08412354
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

99.90% ^*data from raw suppliers

4-(4-Formyl-2-methoxyphenoxy)butanoicacid 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)O

Technology Process of 4-(4-Formyl-2-methoxyphenoxy)butanoic acid

There total 5 articles about 4-(4-Formyl-2-methoxyphenoxy)butanoic acid 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: 99.0%

4-(4-formyl-2-methoxyphenoxy)butanoic acid methyl ester (176375-41-0) → 4-(4-formyl-2-methoxyphenoxy)butyric acid (174358-69-1)

Guidance literature:

With lithium hydroxide; In 1,4-dioxane; for 8h; Ambient temperature;

DOI:10.1021/jo951550w

Reference yield: 45.0%

Ethyl 4-bromobutyrate (2969-81-5) + vanillin (121-33-5,8014-42-4) → 4-(4-formyl-2-methoxyphenoxy)butyric acid (174358-69-1)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃;

Reference yield:

4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid, ethyl ester → 4-(4-formyl-2-methoxyphenoxy)butyric acid (174358-69-1)

Guidance literature:

With pyridinium chlorochromate;

upstream raw materials:

4-(4-formyl-2-methoxyphenoxy)butanoic acid methyl ester

vanillin

Ethyl 4-bromobutyrate

Downstream raw materials:

4-(4-Formyl-2-methoxy-5-nitro-phenoxy)-butyric acid 2-trimethylsilanyl-ethyl ester

4-{4-[(2R,3S,5R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxycarbonyloxymethyl]-2-methoxy-5-nitro-phenoxy}-butyric acid 2-trimethylsilanyl-ethyl ester

4-{4-[(2R,3S,5R)-2-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yloxycarbonyloxymethyl]-2-methoxy-5-nitro-phenoxy}-butyric acid

4-(4-Hydroxymethyl-2-methoxy-5-nitro-phenoxy)-butyric acid 2-trimethylsilanyl-ethyl ester

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