2-(Cyclopentyloxy)acetic acid

Base Information

• Chemical Name: 2-(Cyclopentyloxy)acetic acid
• CAS No.: 95832-60-3
• Molecular Formula: C₇H₁₂O₃
• Molecular Weight: 144.17
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10538066
• Wikidata: Q27447238
• Mol file: 95832-60-3.mol

Synonyms:2-(cyclopentyloxy)acetic acid;95832-60-3;(cyclopentyloxy)acetic acid;2-cyclopentyloxyacetic acid;2-(cyclopentyloxy)aceticacid;MFCD09930082;Acetic acid, (cyclopentyloxy)-;cyclopentyloxyacetic acid;SCHEMBL360541;AMY4677;DTXSID10538066;JPUGGGCNNKXYCU-UHFFFAOYSA-N;VDA83260;AKOS000170598;AB88200;BS-13236;SY006722;EN300-43683;A858806;Q27447238;F8881-4428;Z316258762

Chemical Property of 2-(Cyclopentyloxy)acetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 291.52oC at 760 mmHg
• PKA: 3.55±0.10(Predicted)
• Flash Point: 122.369oC
• PSA: 46.53000
• Density: 1.131g/cm3
• LogP: 1.03020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

2-(Cyclopentyloxy)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)OCC(=O)O
• Uses: 2-(Cyclopentyloxy)acetic Acid is used for preparation and study of structure-acitivty relationship of dimethyl(alkyloxy)[(methylsulfonyl)phenyl]furanones as COX-2 inhibitors.

Technology Process of 2-(Cyclopentyloxy)acetic acid

There total 7 articles about 2-(Cyclopentyloxy)acetic 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: 80.0%

Cyclopentanol (96-41-3) + bromoacetic acid (79-08-3) → (cyclopentyloxy)acetic acid (95832-60-3)

Guidance literature:

Cyclopentanol; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.5h; Inert atmosphere;

bromoacetic acid; In tetrahydrofuran; mineral oil; Inert atmosphere; Reflux;

DOI:10.1039/c8cc05843a

Reference yield:

ethyl cyclopentyloxyacetate (836656-85-0) → (cyclopentyloxy)acetic acid (95832-60-3)

Guidance literature:

ethyl cyclopentyloxyacetate; With water; potassium hydroxide; In methanol; for 6h; Reflux;

With hydrogenchloride; In water; pH=< 3;

Reference yield:

Cyclopentanol (96-41-3) + sodium monochloroacetic acid (3926-62-3) → (cyclopentyloxy)acetic acid (95832-60-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran;

DOI:10.1016/S0960-894X(99)00365-0

upstream raw materials:

sodium cyclopentanolate

chloroacetic acid

Cyclopentanol

sodium monochloroacetic acid

Downstream raw materials:

cyclopentyloxy-acetic acid 2-(4-methanesulfonyl-phenyl)-1,1-dimethyl-2-oxo-ethyl ester

trans-{4-[4-(5-cyclopentyloxymethyl[1.3.4]thiadiazol-2-ylcarbamoyl)-phenyl]cyclohexyl}acetic acid

cis-4-[4-(5-cyclopentyloxymethyl[1,3,4]thiadiazol-2-ylcarbamoyl)phenoxy]cyclohexanecarboxylic acid

methyl cis-4-[4-(5-cyclopentyloxymethyl[1.3.4]thiadiazol-2-ylcarbamoyl)phenoxy]cyclohexanecarboxylate