Ketorolac ethyl ester

Base Information

• Chemical Name: Ketorolac ethyl ester
• CAS No.: 108061-03-6
• Molecular Formula: C17H17NO3
• Molecular Weight: 283.327
• UNII: U58BH6ZA9N
• DSSTox Substance ID: DTXSID501331574
• Nikkaji Number: J937.669K
• Wikidata: Q27290710
• Mol file: 108061-03-6.mol

Synonyms:Ketorolac ethyl ester;108061-03-6;Ethyl 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate;(+/-)-Ketorolac ethyl ester;Ketorolac ethyl ester, (RS)-;UNII-U58BH6ZA9N;1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, ethyl ester;U58BH6ZA9N;Ketorolac trometamol impurity J [EP];Ethyl (1RS)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate;1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro-, ethyl ester, (+/-)-;Ethyl-(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate, racemic;Ethyl (1RS)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate (Ketorolac Ethyl Ester);Ketorolac Trometamol Imp. J (EP);5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid ethyl ester;Ketorolac Trometamol Impurity J;Ketorolac Impurity J;SCHEMBL11603627;DTXSID501331574;KETOROLAC TROMETAMOL IMPURITY J [EP IMPURITY];Q27290710;Ethyl5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Chemical Property of Ketorolac ethyl ester

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 283.12084340
• Heavy Atom Count: 21
• Complexity: 403

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCN2C1=CC=C2C(=O)C3=CC=CC=C3

Technology Process of Ketorolac ethyl ester

There total 2 articles about Ketorolac ethyl ester 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:

ethanol (64-17-5) + Ketorolac (74103-06-3) → ketorolac acid ethyl ester (108061-03-6)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; at 120 ℃; for 0.333333h;

DOI:10.1002/cctc.201902292

Reference yield:

→ ketorolac n-propyl ester + ketorolac acid ethyl ester (108061-03-6)

Guidance literature:

Reference yield:

ketorolac acid ethyl ester (108061-03-6) → Ketorolac (74103-06-3)

Guidance literature:

With pooled human serum; In water; at 37 ℃; Rate constant; serum metabolism; other reagents and solvent, other temperatures;

DOI:10.1002/jps.2600831106

upstream raw materials:

ethanol

Ketorolac

Downstream raw materials:

R-(+)-ketorolac

S-ketorolac

Ketorolac

Refernces

• 1、 -. "5-Aroyl-1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acid derivatives and process for the production thereof". . . Retrieved 2008/06/13.