5-(3-methoxyphenyl)pentanoic Acid

Base Information

• Chemical Name: 5-(3-methoxyphenyl)pentanoic Acid
• CAS No.: 6500-64-7
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20442084
• Nikkaji Number: J1.115.981H
• Wikidata: Q72489094
• Mol file: 6500-64-7.mol

Synonyms:5-(3-methoxyphenyl)pentanoic Acid;6500-64-7;5-(m-Methoxyphenyl)valeric acid;5-(3-Methoxyphenyl)pentanoicacid;5-(3'-Methoxyphenyl)pentan-1-oic acid;SCHEMBL1206248;5-(3-Methoxyphenyl)valeric acid;DTXSID20442084;VGEQZPKAGFDVHW-UHFFFAOYSA-N;MFCD18072925;AKOS016007285;AS-43003;CS-0454560;A867767

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

Chemical Property:

• Melting Point: 54-57℃
• Boiling Point: 371℃
• PKA: 4.75±0.10(Predicted)
• Flash Point: 142℃
• PSA: 46.53000
• Density: 1.093
• LogP: 2.49260
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 22 articles about 5-(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: 100.0%

methyl 5-(3-methoxyphenyl)pentanoate (1373132-90-1) → 5-(3'-methoxyphenyl)pentanoic acid (6500-64-7)

Guidance literature:

methyl 5-(3-methoxyphenyl)pentanoate; With lithium hydroxide monohydrate; water; In tetrahydrofuran; methanol; at -5 - 20 ℃; for 15h;

With hydrogenchloride; In water; pH=2 - 3;

Reference yield: 98.0%

(Z)/(E)-5-(3-methoxyphenyl)pent-4-enoic acid (1226467-43-1) → 5-(3'-methoxyphenyl)pentanoic acid (6500-64-7)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; for 12h;

Reference yield: 94.0%

5-(3-methoxyphenyl)-5-oxopentanoic acid (845781-34-2) → 5-(3'-methoxyphenyl)pentanoic acid (6500-64-7)

Guidance literature:

With hydrazine hydrate; potassium hydroxide; In ethylene glycol; at 0 - 160 ℃; for 10h; Large scale;

upstream raw materials:

5-(m-methoxyphenyl)penta-2,4-dienoic acid

<3-(3-methoxyphenyl)propyl>malonic acid

4-nitrophenyl 5-(3-methoxyphenyl)pentanoate

(-)-epicatechin gallate

Downstream raw materials:

5-(3-methoxyphenyl)pentan-1-ol

methyl 2-[5-(3-methoxyphenyl)pentanoyl]hydrazinecarboxylate

phenyl 2-[5-(3-methoxyphenyl)pentanoyl]hydrazinecarboxylate

phenyl (8-methoxy-2-oxo-1,2,3,4,5,6-heksahydrobenzo[b]azocin-1-yl)carbamate