1-Propyl Etodolac

Base Information

• Chemical Name: 1-Propyl Etodolac
• CAS No.: 57816-83-8
• Molecular Formula: C18H23NO3
• Molecular Weight: 301.38000
• European Community (EC) Number: 642-295-4
• UNII: 4VC974VC57
• ChEMBL ID: CHEMBL3275416
• Mol file: 57816-83-8.mol

Synonyms:1-Propyl Etodolac;57816-83-8;2-(8-ethyl-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid;2-[(1RS)-8-Ethyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic Acid (1-Propyl Etodolac);2-[(1RS)-8-Ethyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic Acid;Etodolac Imp. G (EP);Etodolac Impurity G;SCHEMBL4803185;CHEMBL3275416;4VC974VC57;ETODOLAC IMPURITY G [EP IMPURITY];8-Ethyl-1,3,4,9-tetrahydro-1-propylpyrano[3,4-b]indole-1-acetic acid;Pyrano[3,4-b]indole-1-acetic acid, 8-ethyl-1,3,4,9-tetrahydro-1-propyl-;[(1RS)-8-ethyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid

Chemical Property of 1-Propyl Etodolac

Chemical Property:

• Melting Point: 103 - 105 °C (hexane)
• PSA: 62.32000
• LogP: 3.77310
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 301.16779360
• Heavy Atom Count: 22
• Complexity: 413

Purity/Quality:

99.90% ^*data from raw suppliers

1-PropylEtodolac ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC1(C2=C(CCO1)C3=CC=CC(=C3N2)CC)CC(=O)O
• Uses: 1-Propyl Etodolac is an impurity in the synthesis of Etodolac (E933100), may have use in the treatment of myeloma. COX-1/COX-2/β-catenin inhibitors, or anti-inflammatory agent. 1-Propyl Etodolac (Etodolac EP Impurity G) is an impurity in the synthesis of Etodolac (E933100), may have use in the treatment of myeloma. COX-1/COX-2/β-catenin inhibitors, or anti-inflammatory agent.

Technology Process of 1-Propyl Etodolac

There total 2 articles about 1-Propyl Etodolac 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:

7-ethyl-2-(1H-indol-3-yl)ethan-1-ol (41340-36-7) + ethyl butyroyl acetate (3249-68-1) → (8-ethyl-1-propyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid (57816-83-8)

Guidance literature:

Multistep reaction; (i) TsOH, benzene, (ii) aq. NaOH, EtOH;

DOI:10.1021/jm00225a010

Reference yield:

→ (8-ethyl-1-propyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid (57816-83-8)

Guidance literature:

upstream raw materials:

7-ethyl-2-(1H-indol-3-yl)ethan-1-ol

ethyl butyroyl acetate

Refernces