5-(3-hydroxyphenyl)pentanoic Acid

Base Information

• Chemical Name: 5-(3-hydroxyphenyl)pentanoic Acid
• CAS No.: 31129-95-0
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID301009422
• Nikkaji Number: J1.115.982F
• Wikidata: Q83006120
• Metabolomics Workbench ID: 49480
• Mol file: 31129-95-0.mol

Synonyms:5-(3-hydroxyphenyl)pentanoic Acid;31129-95-0;3-Hydroxyphenyl-valeric acid;5-(3-Hydroxyphenyl)valeric acid;SCHEMBL1049248;5-(3-hydroxyphenyl)pentanoicAcid;CHEBI:137517;DTXSID301009422;AKOS022182667;EN300-112940;Z1262513974

Chemical Property of 5-(3-hydroxyphenyl)pentanoic Acid

Chemical Property:

• Melting Point: 115 - 117°C
• PSA: 57.53000
• LogP: 2.18960
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

5-(3-hydroxyphenyl)pentanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-(3-hydroxyphenyl)pentanoic Acid

There total 19 articles about 5-(3-hydroxyphenyl)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: 76.0%

methyl 5-(3-methoxyphenyl)pentanoate (1373132-90-1) → 5-(3′-hydroxyphenyl)valeric acid (31129-95-0)

Guidance literature:

With hydrogen bromide; In acetic acid; for 44h; Inert atmosphere; Reflux;

DOI:10.1016/j.bmc.2014.03.012

Reference yield:

(-)-epicatechin gallate (863-03-6,10517-25-6,13445-34-6,17431-25-3,20819-16-3,25615-05-8,130405-40-2,1257-08-5) → 3-(3-hydroxyphenyl)-propanoic acid (621-54-5) + 5-(3′-hydroxyphenyl)valeric acid (31129-95-0) + 5-(3'-methoxyphenyl)pentanoic acid (6500-64-7) + 5-(3′,4′,5′-trihydroxyphenyl)valeric acid (31129-94-9)

Guidance literature:

With human intestinal bacteria; In methanol; at 37 ℃; for 48h; Further byproducts given;

DOI:10.1248/cpb.45.888

Reference yield:

(-)-epicatechin gallate (863-03-6,10517-25-6,13445-34-6,17431-25-3,20819-16-3,25615-05-8,130405-40-2,1257-08-5) → 3-(3-hydroxyphenyl)-propanoic acid (621-54-5) + 5-(3′-hydroxyphenyl)valeric acid (31129-95-0) + 5-(3′,4′,5′-trihydroxyphenyl)valeric acid (31129-94-9) + (2S)-1-(3',4'-dihydroxyphenyl)-3-(2'',4'',6''-trihydroxyphenyl)propan-2-ol (111397-00-3)

Guidance literature:

With human intestinal bacteria; In methanol; at 37 ℃; for 48h; Further byproducts given;

DOI:10.1248/cpb.45.888

upstream raw materials:

5-(3'-methoxyphenyl)pentanoic acid

(-)-epicatechin gallate

epigallocatechin

3-(3-Methoxy-phenyl)-propionic acid

Downstream raw materials:

RE₁₇₃

RE₁₇₄

RE₁₆₅

C₂₆H₂₈ClNO₂