Cyclohexanecarboxylic acid,4-[[(2S,4S)-1-[2-[2,5-dichloro-4-[[(1-methyl-1H-indol-3-yl)carbonyl]amino]phenyl]acetyl]-4-methoxy-2-pyrrolidinyl]Methoxy]-,trans-

Base Information

Chemical Name:Cyclohexanecarboxylic acid,4-[[(2S,4S)-1-[2-[2,5-dichloro-4-[[(1-methyl-1H-indol-3-yl)carbonyl]amino]phenyl]acetyl]-4-methoxy-2-pyrrolidinyl]Methoxy]-,trans-
CAS No.:793669-59-7
Molecular Formula:C31H35Cl2N3O6
Molecular Weight:616.541
Hs Code.:
UNII:L4L3Q7THK4
ChEMBL ID:CHEMBL574663
Nikkaji Number:J2.938.117H

Cyclohexanecarboxylic acid,4-[[(2S,4S)-1-[2-[2,5-dichloro-4-[[(1-methyl-1H-indol-3-yl)carbonyl]amino]phenyl]acetyl]-4-methoxy-2-pyrrolidinyl]Methoxy]-,trans-

Synonyms:793669-59-7;CHEMBL574663;Cyclohexanecarboxylic acid,4-[[(2S,4S)-1-[2-[2,5-dichloro-4-[[(1-methyl-1H-indol-3-yl)carbonyl]amino]phenyl]acetyl]-4-methoxy-2-pyrrolidinyl]Methoxy]-,trans-;Cyclohexanecarboxylic acid, 4-[[(2S,4S)-1-[2-[2,5-dichloro-4-[[(1-methyl-1H-indol-3-yl)carbonyl]amino]phenyl]acetyl]-4-methoxy-2-pyrrolidinyl]methoxy]-, trans-;L4L3Q7THK4;SCHEMBL12863716;SCHEMBL13437466;SCHEMBL14263692;SCHEMBL14263703;BDBM50423673;DW-908;PD160881;trans-4-[[(2S,4S)-1-[2-[2,5-Dichloro-4-[[(1-methyl-1H-indol-3-yl)carbonyl]amino]phenyl]acetyl]-4-methoxy-2-pyrrolidinyl]methoxy]cyclohexanecarboxylic acid

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Chemical Property of Cyclohexanecarboxylic acid,4-[[(2S,4S)-1-[2-[2,5-dichloro-4-[[(1-methyl-1H-indol-3-yl)carbonyl]amino]phenyl]acetyl]-4-methoxy-2-pyrrolidinyl]Methoxy]-,trans-

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:615.1902912
Heavy Atom Count:42
Complexity:965

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=C(C2=CC=CC=C21)C(=O)NC3=C(C=C(C(=C3)Cl)CC(=O)N4CC(CC4COC5CCC(CC5)C(=O)O)OC)Cl
Isomeric SMILES:CN1C=C(C2=CC=CC=C21)C(=O)NC3=C(C=C(C(=C3)Cl)CC(=O)N4C[C@H](C[C@H]4COC5CCC(CC5)C(=O)O)OC)Cl

Technology Process of Cyclohexanecarboxylic acid,4-[[(2S,4S)-1-[2-[2,5-dichloro-4-[[(1-methyl-1H-indol-3-yl)carbonyl]amino]phenyl]acetyl]-4-methoxy-2-pyrrolidinyl]Methoxy]-,trans-

There total 2 articles about Cyclohexanecarboxylic acid,4-[[(2S,4S)-1-[2-[2,5-dichloro-4-[[(1-methyl-1H-indol-3-yl)carbonyl]amino]phenyl]acetyl]-4-methoxy-2-pyrrolidinyl]Methoxy]-,trans- 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:

: 793669-62-2
trans-4-((2S,4S)-1-{2,5-dichloro-4-[(1-methylindol-3-yl)carboxamido]phenyl}acetyl-4-methoxypyrrolidin-2-yl)methoxycyclohexane-1-carboxylic acid ethyl ester

: 793669-59-7
trans-4-[1-[[2,5-dichloro-4-(1-methyl-3-indolylcarboxamido)phenyl]acetyl]-(4S)-methoxy-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid

Guidance literature:: trans-4-((2S,4S)-1-{2,5-dichloro-4-[(1-methylindol-3-yl)carboxamido]phenyl}acetyl-4-methoxypyrrolidin-2-yl)methoxycyclohexane-1-carboxylic acid ethyl ester; With methanol; sodium hydroxide; water; In tetrahydrofuran; at 50 ℃; for 19h;

With hydrogenchloride; In tetrahydrofuran; methanol; water; Acidic conditions;

Reference yield:

: C₃₂H₃₇Cl₂N₃O₆

: 793669-59-7
trans-4-[1-[[2,5-dichloro-4-(1-methyl-3-indolylcarboxamido)phenyl]acetyl]-(4S)-methoxy-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid

Guidance literature:: C₃₂H₃₇Cl₂N₃O₆; With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 2h;

With hydrogenchloride; In tetrahydrofuran; water; Cooling with ice;
DOI:10.1021/jm901154c