Tropesin

Base Information

• Chemical Name: Tropesin
• CAS No.: 65189-78-8
• Molecular Formula: C₂₈H₂₄ClNO₆
• Molecular Weight: 505.955
• European Community (EC) Number: 265-607-7
• UNII: P8NV2308A2
• DSSTox Substance ID: DTXSID40983767
• Nikkaji Number: J301.865B,J301.866K
• Wikidata: Q27286375
• ChEMBL ID: CHEMBL4303336
• Mol file: 65189-78-8.mol

Synonyms:indomethacin alpha-carboxyphenethyl ester;tropesin;VUFB 12018;VUFB-12018

Chemical Property of Tropesin

Chemical Property:

• Vapor Pressure: 1.82E-17mmHg at 25°C
• Boiling Point: 644°C at 760 mmHg
• Flash Point: 343.3°C
• Density: 1.3g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 505.1292152
• Heavy Atom Count: 36
• Complexity: 778

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)OCC(C4=CC=CC=C4)C(=O)O

Technology Process of Tropesin

There total 5 articles about Tropesin 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:

→ 2-phenyl-2-carboxyethyl 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolylacetate (65189-78-8,75239-25-7,75239-27-9)

Guidance literature:

Aus der 1-p-Chlorbenzoyl-2-methyl-5-methoxy-3-indolylessigsaeure, und entspr. Alkohol;

Reference yield:

[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid (53-86-1) → (+)-2-phenyl-2-carboxyethyl ester of 1-p-chlorobenzoyl-5-methoxy-2-methyl-3-indolylacetic acid (65189-78-8,65828-79-7,75239-25-7,75239-27-9)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 0.08 h / Ambient temperature

2: 19 h / Ambient temperature

In dichloromethane;

Reference yield:

1-{3-[1-(p-chlorobenzoyl-5-methoxy-2-methyl)-indolacetyl]}-imidazole (78436-46-1) + (+)-2-phenyl-3-hydroxypropane acid (529-64-6,552-63-6,16202-15-6,17126-67-9,28845-94-5) → (+)-2-phenyl-2-carboxyethyl ester of 1-p-chlorobenzoyl-5-methoxy-2-methyl-3-indolylacetic acid (65189-78-8,65828-79-7,75239-25-7,75239-27-9)

Guidance literature:

for 19h; Yield given; Ambient temperature;

upstream raw materials:

1-{3-[1-(p-chlorobenzoyl-5-methoxy-2-methyl)-indolacetyl]}-imidazole

(+)-2-phenyl-3-hydroxypropane acid

[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid

(-)-2-phenyl-3-hydroxypropane acid