5-(4-Hydroxy-3-methoxyphenyl)pentanoic acid

Base Information

• Chemical Name: 5-(4-Hydroxy-3-methoxyphenyl)pentanoic acid
• CAS No.: 6342-85-4
• Molecular Formula: C12H16 O4
• Molecular Weight: 224.257
• NSC Number: 46655
• DSSTox Substance ID: DTXSID80286608
• Wikidata: Q82022381
• Mol file: 6342-85-4.mol

Synonyms:5-(4-hydroxy-3-methoxyphenyl)pentanoic acid;6342-85-4;Benzenepentanoicacid, 4-hydroxy-3-methoxy-;NSC46655;SCHEMBL7824983;DTXSID80286608;CHEBI:190376;JQQIWBPHESZYNN-UHFFFAOYSA-N;NSC-46655;AKOS024325617;5-(4-HYDROXY-3-METHOXY-PHENYL)-PENTANOIC ACID

Chemical Property of 5-(4-Hydroxy-3-methoxyphenyl)pentanoic acid

Chemical Property:

• Vapor Pressure: 6.05E-08mmHg at 25°C
• Boiling Point: 424°Cat760mmHg
• Flash Point: 164.2°C
• Density: 1.187g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(4-Hydroxy-3-methoxyphenyl)pentanoic acid

There total 3 articles about 5-(4-Hydroxy-3-methoxyphenyl)pentanoic 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:

5-<4-(benzyloxy)-3-methoxyphenyl>-2,4-pentadienoic acid (102018-94-0) → 5-(4-hydroxy-3-methoxyphenyl)pentanoic acid (6342-85-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In N,N-dimethyl-formamide; at 60 ℃; under 760 Torr; Yield given;

DOI:10.1021/jm00124a017

Reference yield:

3-methoxy-4-(phenylmethoxy)benzaldehyde (2426-87-1) → 5-(4-hydroxy-3-methoxyphenyl)pentanoic acid (6342-85-4)

Guidance literature:

Multi-step reaction with 2 steps

1: t-BuOK / various solvent(s)

2: H₂ / 10percent Pd/C / dimethylformamide / 60 °C / 760 Torr

With potassium tert-butylate; hydrogen; palladium on activated charcoal; In N,N-dimethyl-formamide;

DOI:10.1021/jm00124a017

Reference yield:

→ 5-(4-hydroxy-3-methoxyphenyl)pentanoic acid (6342-85-4)

Guidance literature:

3-Methoxy-4-benzoyloxy-benzaldehyd, 1) Crotonsaeuremethylester, K, tert.-Butanol, 2) H2-Pd-Kohle;

DOI:10.1039/j39680001187

upstream raw materials:

5-<4-(benzyloxy)-3-methoxyphenyl>-2,4-pentadienoic acid

3-methoxy-4-(phenylmethoxy)benzaldehyde

Downstream raw materials:

5-(4-hydroxy-3-methoxy-5-nitrophenyl)pentanoic acid

5-(3,4-dihydroxy-5-nitrophenyl)pentanoic acid