Octyl 5-oxo-L-prolinate

Base Information

• Chemical Name: Octyl 5-oxo-L-prolinate
• CAS No.: 4931-70-8
• Molecular Formula: C4H11N5
• Molecular Weight: 241.331
• Hs Code.: 2933790090
• European Community (EC) Number: 225-569-4
• DSSTox Substance ID: DTXSID20964211
• Nikkaji Number: J179.407H
• Wikidata: Q82946154
• Mol file: 4931-70-8.mol

Synonyms:4931-70-8;Octyl 5-oxo-L-prolinate;octyl (2S)-5-oxopyrrolidine-2-carboxylate;N-OCTYL L-2-PYRROLIDONE-5-CARBOXYLATE;n-Octyl L-2-pyrrolidinone-5-carboxylate;(S)-Octyl 5-oxopyrrolidine-2-carboxylate;EINECS 225-569-4;Octyl Pyroglutamate;5-Oxo-L-proline octyl ester;SCHEMBL1978841;DTXSID20964211;MFCD00236053;AKOS025116981;(S)-Octyl5-oxopyrrolidine-2-carboxylate;AS-64796;n-Octyl L-2-pyrrolidinone-5-carboxylate, 98%;Octyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate

Chemical Property of Octyl 5-oxo-L-prolinate

Chemical Property:

• Vapor Pressure: 3.69E-06mmHg at 25°C
• Refractive Index: 1.4720
• Boiling Point: 224.1°Cat760mmHg
• Flash Point: 89.3°C
• PSA: 55.40000
• Density: 1.28g/cm³
• LogP: 2.49750
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 241.16779360
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

N-OCTYL(S)-2-PYRROLIDINONE-5-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC(=O)C1CCC(=O)N1
• Isomeric SMILES: CCCCCCCCOC(=O)[C@@H]1CCC(=O)N1

Technology Process of Octyl 5-oxo-L-prolinate

There total 2 articles about Octyl 5-oxo-L-prolinate 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%

octanol (111-87-5) + Pyroglutamic acid (149-87-1) + ethyl 2-oxopyrrolidine-5-carboxylate (66183-71-9) → octyl 5-oxo-L-prolinate (4931-70-8)

Guidance literature:

Novozym 435; at 60 ℃; for 24h; under 15.0015 Torr; Enzymatic reaction;

Reference yield:

→ octyl 5-oxo-L-prolinate (4931-70-8)

Guidance literature:

entspr. Saeure, 1) SOCl2, 2) entspr. Alkohol;

upstream raw materials:

octanol

Pyroglutamic acid

ethyl 2-oxopyrrolidine-5-carboxylate

Refernces