1-(4-Propoxyphenyl)cyclopentanecarboxylic acid

Base Information

• Chemical Name: 1-(4-Propoxyphenyl)cyclopentanecarboxylic acid
• CAS No.: 74316-95-3
• Molecular Formula: C15H20O3
• Molecular Weight: 248.322
• DSSTox Substance ID: DTXSID40346035
• Wikidata: Q82118889
• ChEMBL ID: CHEMBL1352761
• Mol file: 74316-95-3.mol

Synonyms:1-(4-Propoxyphenyl)cyclopentanecarboxylic acid;74316-95-3;1-(4-propoxyphenyl)cyclopentane-1-carboxylic acid;Cyclopentanecarboxylic acid, 1-(4-propoxyphenyl)-;ChemDiv3_002314;Chembrdg-bb 5238074;Oprea1_043397;Oprea1_217168;MLS000061143;CHEMBL1352761;REGID_for_CID_608956;DTXSID40346035;HMS1479J04;HMS2404J13;MFCD00436408;STL313673;AKOS000545180;BS-36177;SMR000069211;1-(4-Propoxyphenyl)cyclopentanecarboxylicacid;CS-0322499;UNM000000597201;1-(4-Propoxyphenyl)cyclopentanecarboxylic acid #;AB00076287-01;1-(4-propoxyphenyl)-1-cyclopentanecarboxylic acid;EN300-18558180;SR-01000467544;SR-01000467544-1;BRD-K21653679-001-01-4

Chemical Property of 1-(4-Propoxyphenyl)cyclopentanecarboxylic acid

Chemical Property:

• Vapor Pressure: 4.17E-07mmHg at 25°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)C2(CCCC2)C(=O)O

Technology Process of 1-(4-Propoxyphenyl)cyclopentanecarboxylic acid

There total 2 articles about 1-(4-Propoxyphenyl)cyclopentanecarboxylic 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: 76.1%

1-Cyano-1-(4-n-propoxyphenyl)-cyclopentan (23528-50-9) → 1-(4-Propoxy-phenyl)-cyclopentanecarboxylic acid (74316-95-3)

Guidance literature:

With potassium hydroxide; In diethylene glycol; for 6h; Heating;

DOI:10.1007/BF00777383

Reference yield:

(4-propoxy-phenyl)-acetonitrile (50690-52-3) → 1-(4-Propoxy-phenyl)-cyclopentanecarboxylic acid (74316-95-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 73.6 percent / NaOH / 12 h / 110 - 120 °C

2: 76.1 percent / KOH / bis-(2-hydroxy-ethyl) ether / 6 h / Heating

With potassium hydroxide; sodium hydroxide; In diethylene glycol;

DOI:10.1007/BF00777383

Reference yield:

chloroformic acid ethyl ester (541-41-3) + 1-(4-Propoxy-phenyl)-cyclopentanecarboxylic acid (74316-95-3) → C18H24O5

Guidance literature:

With triethylamine; In acetone; 30 min, 0 deg C, then 2 h, r.t.;

DOI:10.1007/BF00777383

upstream raw materials:

1-Cyano-1-(4-n-propoxyphenyl)-cyclopentan

(4-propoxy-phenyl)-acetonitrile

Downstream raw materials:

(6R,7R)-3-Methyl-8-oxo-7-{[1-(4-propoxy-phenyl)-cyclopentanecarbonyl]-amino}-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-{[1-(4-propoxy-phenyl)-cyclopentanecarbonyl]-amino}-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid

Refernces