2-(2-oxocyclopentyl)acetic Acid

Base Information

• Chemical Name: 2-(2-oxocyclopentyl)acetic Acid
• CAS No.: 1460-38-4
• Molecular Formula: C₇H₁₀O₃
• Molecular Weight: 142.155
• Hs Code.: 2918300090
• European Community (EC) Number: 628-827-8
• DSSTox Substance ID: DTXSID20393744
• Nikkaji Number: J611.422I
• Mol file: 1460-38-4.mol

Synonyms:2-(2-oxocyclopentyl)acetic Acid;1460-38-4;2-Oxocyclopentaneacetic acid;2-OXO-CYCLOPENTANEACETIC ACID;Cyclopentaneacetic acid, 2-oxo-;2-Oxocyclopentylacetic acid;2-(2-Oxocyclopentyl)aceticacid;2-OXO-CYCLOPENTANEACETICACID;2-oxo-cyclopentyl acetic acid;SCHEMBL1918364;DTXSID20393744;OLLLIBGOZUPLOK-UHFFFAOYSA-N;2-Oxocyclopentaneacetic acid, 97%;MFCD02093672;AKOS006223500;AS-60730;CS-0318520;J-200047

Chemical Property of 2-(2-oxocyclopentyl)acetic Acid

Chemical Property:

• Vapor Pressure: 8.69E-05mmHg at 25°C
• Melting Point: 47-51 °C(lit.)
• Refractive Index: 1.492
• Boiling Point: 316.5°Cat760mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 159.5°C
• PSA: 54.37000
• Density: 1.21g/cm³
• LogP: 0.83030
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 142.062994177
• Heavy Atom Count: 10
• Complexity: 162

Purity/Quality:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C(=O)C1)CC(=O)O

Technology Process of 2-(2-oxocyclopentyl)acetic Acid

There total 14 articles about 2-(2-oxocyclopentyl)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: 96.0%

ethyl (2-oxocyclopentyl)acetate (20826-94-2) → (2-oxocyclopent)acetic acid (104115-44-8,1460-38-4)

Guidance literature:

With potassium hydroxide; at 20 ℃; for 8h;

DOI:10.1016/S0040-4020(00)00569-X

Reference yield: 80.0%

2-ethoxycarbonyl-1-cyclopentanone (611-10-9) + bromoacetic acid methyl ester (96-32-2) → (2-oxocyclopent)acetic acid (104115-44-8,1460-38-4)

Guidance literature:

2-ethoxycarbonyl-1-cyclopentanone; bromoacetic acid methyl ester; With potassium carbonate; In acetone; Inert atmosphere; Reflux;

With hydrogenchloride; In water; for 5h; Inert atmosphere; Reflux;

DOI:10.1021/acs.orglett.7b01963

Reference yield: 63.0%

ethyl 1-(2-ethoxy-2-oxoethyl)-2-oxocyclopentanecarboxylate (41301-66-0) → (2-oxocyclopent)acetic acid (104115-44-8,1460-38-4)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

ethyl 1-(2-ethoxy-2-oxoethyl)-2-oxocyclopentanecarboxylate

Cyclopentanon-⁽²⁾-oxalsaeure-⁽¹⁾

chloroacetic acid ethyl ester

{2-[(2,4-Dinitro-phenyl)-hydrazono]-cyclopentyl}-acetic acid

Downstream raw materials:

2-methyl-7,8,9,10-tetrahydro-5H-benzo[b]cyclopent[d]azepin-6-one

(+/-)-cis-1-(toluene-4-sulfonyloxy)-2-[2-(toluene-4-sulfonyloxy)-ethyl]-cyclopentane