Ethyl 5-(3-hydroxyphenyl)pentanoate

Base Information

• Chemical Name: Ethyl 5-(3-hydroxyphenyl)pentanoate
• CAS No.: 143536-52-1
• Molecular Formula: C13H18O3
• Molecular Weight: 222.284
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID70569932
• Wikidata: Q72475347
• Mol file: 143536-52-1.mol

Synonyms:ethyl 5-(3-hydroxyphenyl)pentanoate;143536-52-1;ethyl5-(3-hydroxyphenyl)pentanoate;SCHEMBL947756;DTXSID70569932;AKOS015856289;A3104;F90138

Chemical Property of Ethyl 5-(3-hydroxyphenyl)pentanoate

Chemical Property:

• Vapor Pressure: 2.89E-05mmHg at 25°C
• Refractive Index: 1.517
• Boiling Point: 346.4 °C at 760 mmHg
• Flash Point: 142.5 °C
• PSA: 46.53000
• Density: 1.075 g/cm³
• LogP: 2.66810
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

Ethyl5-(3-hydroxyphenyl)pentanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 5-(3-hydroxyphenyl)pentanoate

There total 17 articles about Ethyl 5-(3-hydroxyphenyl)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: 96.0%

(E)-5-(3-Benzyloxy-phenyl)-pent-2-enoic acid ethyl ester → ethyl 5-(3-hydroxyphenyl)pentanoate (143536-52-1)

Guidance literature:

With hydrogen; platinum(IV) oxide; palladium on activated charcoal; In ethanol; for 24h; Ambient temperature;

DOI:10.1016/S0040-4039(00)74819-2

Reference yield: 86.0%

5-(3-hydroxy-phenyl)-4-pentenoic acid ethyl ester (1400705-30-7) → ethyl 5-(3-hydroxyphenyl)pentanoate (143536-52-1)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; under 2585.81 Torr;

Reference yield:

C15H22O4 → ethyl 5-(3-hydroxyphenyl)pentanoate (143536-52-1)

Guidance literature:

With hydrogenchloride; water; In ethanol;

DOI:10.1016/j.bmcl.2011.05.029

upstream raw materials:

ethyl (E)-5-<3-(benzyloxy)phenyl>-2-pentenoate

3-hydroxy-trans-cinnamic acid

3-(3-hydroxy-phenyl)propionic acid ethyl ester

ethyl 3-<3-(benzyloxy)phenyl>propanoate

Downstream raw materials:

(S)-2-({2-[4-(3-hydroxy-phenyl)butyl]-4,6-dimethyl-pyrimidine-5-carbonyl}amino)-3-[(thiophene-2-carbonyl)amino]propionic acid

C₂₆H₃₀N₄O₅S

C₂₉H₃₄N₄O₅S

C₂₉H₄₀N₄O₆

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