Methyl 5-(3,5-dihydroxyphenyl)pentanoate

Base Information

• Chemical Name: Methyl 5-(3,5-dihydroxyphenyl)pentanoate
• CAS No.: 71186-11-3
• Molecular Formula: C12H16O4
• Molecular Weight: 224.257
• DSSTox Substance ID: DTXSID80555563
• Wikidata: Q82436949
• Mol file: 71186-11-3.mol

Synonyms:METHYL 5-(3,5-DIHYDROXYPHENYL)PENTANOATE;71186-11-3;SCHEMBL24650078;DTXSID80555563

Chemical Property of Methyl 5-(3,5-dihydroxyphenyl)pentanoate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 207

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCCC1=CC(=CC(=C1)O)O

Technology Process of Methyl 5-(3,5-dihydroxyphenyl)pentanoate

There total 11 articles about Methyl 5-(3,5-dihydroxyphenyl)pentanoate 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: 94.0%

methyl 2-carboxy-5-(3,5-dihydroxyphenyl)pentanoate (74333-66-7) → methyl 5-(3',5'-dihydroxyphenyl)-pentenoate (71186-11-3)

Guidance literature:

In pyridine; for 24h; Heating;

Reference yield: 87.0%

methyl 5-<3',5'-bis(benzyloxy)phenyl>-4-pentenoate → methyl 5-(3',5'-dihydroxyphenyl)-pentenoate (71186-11-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1002/hlca.19800630845

Reference yield:

C12H12O4 → methyl 5-(3',5'-dihydroxyphenyl)-pentenoate (71186-11-3)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol;

upstream raw materials:

methyl 2-carboxy-5-(3,5-dihydroxyphenyl)pentanoate

Methyl 4-bromobutyrate

1-carbomethoxy-3,5-dihydroxybenzene

methyl 3,5-bis(benzyloxy)benzoate

Downstream raw materials:

(3R,4R)-ω-carboxy-p-cannabidiol

(3R,4R)-ω-carboxy-Δ¹-tetrahydrocannabinol

(3R,4R)-ω-methoxycarbonyl-p-cannabidiol

(3R,4R)-ω-methoxycarbonyl-o-cannabidiol