4-(4-formylphenoxy)butanoic Acid

Base Information

• Chemical Name: 4-(4-formylphenoxy)butanoic Acid
• CAS No.: 99865-70-0
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10393253
• Nikkaji Number: J1.931.256I
• Wikidata: Q82191953
• Mol file: 99865-70-0.mol

Synonyms:4-(4-formylphenoxy)butanoic Acid;99865-70-0;4-(4-formylphenoxy)butyric acid;SCHEMBL1250574;DTXSID10393253;GKECISRCTNHSNA-UHFFFAOYSA-N;MFCD02258439;AKOS009385263;NS-02286;BB 0254984;A1-08949

Chemical Property of 4-(4-formylphenoxy)butanoic Acid

Chemical Property:

• PSA: 63.60000
• LogP: 1.74270
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-formylphenoxy)butanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)OCCCC(=O)O

Technology Process of 4-(4-formylphenoxy)butanoic Acid

There total 5 articles about 4-(4-formylphenoxy)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: 97.0%

ethyl 4-(4-formylphenoxy)butyrate (92991-64-5) → 4-(4-Formyl-phenoxy)butyric acid (99865-70-0)

Guidance literature:

With potassium hydroxide; In methanol; water; for 2h; Heating;

DOI:10.1016/S0040-4020(03)00954-2

Reference yield:

ethyl 4-(4-(hydroxymethyl)phenoxy) butanoate (174884-11-8) + ? molecular sieve + 6-formyl-2-naphthoic acid (5084-45-7) → 4-(4-Formyl-phenoxy)butyric acid (99865-70-0)

Guidance literature:

With potassium carbonate; pyridinium chlorochromate; In methanol; dichloromethane; water;

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(4-Formyl-phenoxy)butyric acid (99865-70-0)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol. KOH

2: methanol. KOH

With potassium hydroxide;

DOI:10.1021/ja01519a058

upstream raw materials:

4-(4-formylphenoxy)butanitrile

ethyl 4-(4-formylphenoxy)butyrate

4-hydroxy-benzaldehyde

ethyl 4-(4-(hydroxymethyl)phenoxy) butanoate

Downstream raw materials:

C₁₆H₂₂O₄

C₁₄H₂₀O₃

C₁₄H₁₈O₃

C₁₄H₂₂O₃