(E)-2-(4-(4-chlorobenzyl)-7-fluoro-5-(Methylsulfonyl)-1,2-dihydrocyclopenta[b]indol-3(4H)-ylidene)acetic acid

Base Information

• Chemical Name: (E)-2-(4-(4-chlorobenzyl)-7-fluoro-5-(Methylsulfonyl)-1,2-dihydrocyclopenta[b]indol-3(4H)-ylidene)acetic acid
• CAS No.: 866215-99-8
• Molecular Formula: C21H17ClFNO4S
• Molecular Weight: 433.888
• Mol file: 866215-99-8.mol

Synonyms:(E)-2-(4-(4-Chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-1,2-dihydrocyclopenta[b]indol-3(4H)-ylidene)acetic acid;(2E)-[4-[(4-Chlorophenyl)methyl]-7-fluoro-1,4-dihydro-5-(methylsulfonyl)cyclopent[b]indol-3(2H)-ylidene]acetic acid;

Chemical Property of (E)-2-(4-(4-chlorobenzyl)-7-fluoro-5-(Methylsulfonyl)-1,2-dihydrocyclopenta[b]indol-3(4H)-ylidene)acetic acid

Chemical Property:

• PSA: 84.75000
• LogP: 5.38060

Purity/Quality:

98% Min ^*data from raw suppliers

(E)-2-(4-(4-Chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-1,2-dihydrocyclopenta[b]indol-3(4H)-ylidene)acetic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (E)-2-(4-(4-chlorobenzyl)-7-fluoro-5-(Methylsulfonyl)-1,2-dihydrocyclopenta[b]indol-3(4H)-ylidene)acetic acid

There total 3 articles about (E)-2-(4-(4-chlorobenzyl)-7-fluoro-5-(Methylsulfonyl)-1,2-dihydrocyclopenta[b]indol-3(4H)-ylidene)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:

[4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-1,4-dihydrocyclopenta[b]indol-3-yl]acetic acid (923580-09-0) → [4-(4-chloro-benzyl)-7-fluoro-5-methanesulfonyl-1,4-dihydro-2H-cyclopenta[b]indol-3-ylidene]-acetic acid (866215-99-8)

Guidance literature:

With N,N,N',N'-tetramethylguanidine; [(S-BINAP)Ru(p-cymene)Cl₂]2; In methanol; at 50 ℃; for 3h; Further Variations:; Pressures; Kinetics;

DOI:10.1021/ja0623358

Reference yield:

C6H15N*C7H8O3 (1206547-75-2) + CH4O3S*C14H14ClFN2O2S (1170219-90-5) → [4-(4-chloro-benzyl)-7-fluoro-5-methanesulfonyl-1,4-dihydro-2H-cyclopenta[b]indol-3-ylidene]-acetic acid (866215-99-8)

Guidance literature:

C₆H₁₅N*C₇H₈O₃; CH₄O₃S*C₁₄H₁₄ClFN₂O₂S; In propionic acid; at 20 - 40 ℃; for 3h;

With methanesulfonic acid; In propionic acid; at 50 - 60 ℃; for 1.05 - 1.08333h; Product distribution / selectivity;

Reference yield:

CH4O3S*C14H14ClFN2O2S (1170219-90-5) + (2E)-(2-oxocyclopentylidene)acetic acid → [4-(4-chloro-benzyl)-7-fluoro-5-methanesulfonyl-1,4-dihydro-2H-cyclopenta[b]indol-3-ylidene]-acetic acid (866215-99-8)

Guidance literature:

In tert-butyl methyl ether; acetonitrile; at 20 - 55 ℃; for 24h; Product distribution / selectivity;

upstream raw materials:

[4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-1,4-dihydrocyclopenta[b]indol-3-yl]acetic acid

CH₄O₃S*C₁₄H₁₄ClFN₂O₂S

C₆H₁₅N*C₇H₈O₃

Downstream raw materials:

laropiprant

[4-(4-chlorobenzyl)-7-fluoro-5-(methylsulfonyl)-1,4-dihydrocyclopenta[b]indol-3-yl]acetic acid