Methyl 4-((5-(((cyclopentyloxy)carbonyl)amino)-1-methyl-1H-indol-3-yl)methyl)-3-methoxybenzoate

Base Information

Chemical Name:Methyl 4-((5-(((cyclopentyloxy)carbonyl)amino)-1-methyl-1H-indol-3-yl)methyl)-3-methoxybenzoate
CAS No.:107754-19-8
Molecular Formula:C25H30N2O5
Molecular Weight:436.508
Hs Code.:
UNII:S7E97V46PN
ChEMBL ID:CHEMBL4284399
Nikkaji Number:J3.129.301D
Mol file:107754-19-8.mol

Synonyms:107754-19-8;S7E97V46PN;UNII-S7E97V46PN;Methyl 4-((5-(((cyclopentyloxy)carbonyl)amino)-1-methyl-1H-indol-3-yl)methyl)-3-methoxybenzoate;4-[[5-[[(Cyclopentyloxy)carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-benzoic Acid Methyl Ester;methyl 4-[[5-(cyclopentyloxycarbonylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzoate;4-[[5-[[(Cyclopentyloxy)carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-benzoic Acid Methyl;Benzoic acid, 4-((5-(((cyclopentyloxy)carbonyl)amino)-1-methyl-1H-indol-3-yl)methyl)-3-methoxy-, methyl ester;QVOFWGVAMUSZGP-UHFFFAOYSA-N;methyl 4-[5-(cyclopentyloxycarbonyl)amino-1-methyl-indol-3-ylmethyl]-3-methoxybenzoate;SCHEMBL3642474;CHEMBL4284399;methyl 4-(5-cyclopentyloxycarbonylamino-1-methylindol-3-ylmethyl)-3-methoxybenzoate;methyl 4-[5-(cyclo-pentyloxycarbonyl)amino-1-methylindol-3-ylmethyl]-3-methoxybenzoate;methyl 4-[5-(cyclopentyloxycarbonyl)amino-1-methylindol-3-ylmethyl]-3 methoxybenzoate;Methyl 4-[5-(cyclopentyloxycarbonyl)amino-1-methylindol-3-ylmethyl]-3-methoxybenzoate;{3-[2-methoxy-4-methoxycarbonyl-benzyl]-1-methyl-1H-indol-5-yl}-carbamic acid cyclopentyl ester;4-(5-Cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-yl methyl)-3-methoxy-benzoic acid methyl ester

Suppliers and Price of Methyl 4-((5-(((cyclopentyloxy)carbonyl)amino)-1-methyl-1H-indol-3-yl)methyl)-3-methoxybenzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-[[5-[[(Cyclopentyloxy)carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-benzoicAcidMethylEster
100mg
$ 1320.00

Total 3 raw suppliers

Chemical Property of Methyl 4-((5-(((cyclopentyloxy)carbonyl)amino)-1-methyl-1H-indol-3-yl)methyl)-3-methoxybenzoate

Chemical Property:

Melting Point:128-132 °C
Boiling Point:581.9±50.0 °C(Predicted)
PKA:14.52±0.43(Predicted)
PSA：78.79000
Density:1.25±0.1 g/cm3(Predicted)
LogP:5.12840
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:436.19982200
Heavy Atom Count:32
Complexity:652

Purity/Quality:

98%min ^*data from raw suppliers

4-[[5-[[(Cyclopentyloxy)carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-benzoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=C(C2=C1C=CC(=C2)NC(=O)OC3CCCC3)CC4=C(C=C(C=C4)C(=O)OC)OC
Uses 4-[[5-[[(Cyclopentyloxy)carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-benzoic Acid Methyl Ester is an impurity of Zafirlukast (Z125000), a potent, selective and orally active cysteinyl leukotriene type 1 receptor antagonist.

Technology Process of Methyl 4-((5-(((cyclopentyloxy)carbonyl)amino)-1-methyl-1H-indol-3-yl)methyl)-3-methoxybenzoate

There total 9 articles about Methyl 4-((5-(((cyclopentyloxy)carbonyl)amino)-1-methyl-1H-indol-3-yl)methyl)-3-methoxybenzoate 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: 98.4%

: 50715-28-1
cyclopentyl chloroformate

: 107754-14-3
methyl 4-<(5-amino-1-methylindol-3-yl)methyl>-3-methoxybenzoate

: 107754-19-8
methyl 4-[5-(cyclopentyloxycarbonyl)amino-1-methyl-indol-3-ylmethyl]-3-methoxybenzoate

Guidance literature:: With 4-methyl-morpholine; In toluene; at 20 - 35 ℃; Large scale reaction;
DOI:10.1021/op800137b

Reference yield: 45.0%

: cyclopentyl-N-(1-methyl-1H-indol-5-yl)carbamate

: 70264-94-7
methyl 4-(bromomethyl)-3-methoxybenzoate

: 107754-19-8
methyl 4-[5-(cyclopentyloxycarbonyl)amino-1-methyl-indol-3-ylmethyl]-3-methoxybenzoate

Guidance literature:: In N,N-dimethyl-formamide;

Reference yield:

: 3556-83-0
methyl 4-methyl-3-methoxybenzoate

: 107754-19-8
methyl 4-[5-(cyclopentyloxycarbonyl)amino-1-methyl-indol-3-ylmethyl]-3-methoxybenzoate

Guidance literature:: Multi-step reaction with 4 steps

1: 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / Reflux; Inert atmosphere

2: iron(III) chloride / 1,4-dioxane / 12 h / 20 °C / Inert atmosphere

3: hydrogen; palladium on activated charcoal / 12 h / 20 °C / Inert atmosphere

4: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 4 h / 4 - 20 °C / Inert atmosphere

With iron(III) chloride; N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); palladium on activated charcoal; hydrogen; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; 1,4-dioxane; chloroform; 2: |Friedel-Crafts Alkylation;
DOI:10.1021/acs.jmedchem.8b00458