(S)-4'-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid

Base Information

Chemical Name:(S)-4'-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid
CAS No.:1338259-06-5
Molecular Formula:C₃₃H₂₉BrN₂O₃
Molecular Weight:581.509
Hs Code.:
DSSTox Substance ID:DTXSID301104890
Pharos Ligand ID:JWTPCRPGVP2U
ChEMBL ID:CHEMBL3695760

Synonyms:(S)-4'-((5-(1-(4-bromophenyl)ethylcarbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)biphenyl-2-carboxylic acid;SR1824

Suppliers and Price of (S)-4'-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid

Supply Marketing:

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

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Chemical Property of (S)-4'-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid

Chemical Property:

XLogP3:7.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:580.13616
Heavy Atom Count:39
Complexity:837

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(C)C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O)C
Isomeric SMILES:CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=C(C=C3)Br)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O)C

Technology Process of (S)-4'-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid

There total 12 articles about (S)-4'-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic 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:

: (S)-tert-butyl 4'-((5-(1-(4-bromophenyl)ethylcarbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)biphenyl-2-carboxylate

: 1338259-06-5
(S)-4'-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane;
DOI:10.1038/nature10383

Reference yield:

: 55666-42-7
tert-butyl 2-bromobenzoate

: 1338259-06-5
(S)-4'-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid

Guidance literature:: Multi-step reaction with 6 steps

1.1: potassium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane; water / 0.67 h / 100 °C / Sealed vial

2.1: 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / tetrachloromethane / 2 h / 100 °C

3.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.5 h / 0 - 20 °C / Inert atmosphere

3.2: 1 h / 0 - 20 °C

4.1: sodium hydroxide / ethanol / 2 h / 100 °C

4.2: 20 °C / pH ~ 4

5.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 0.08 h

5.2: 0.5 h / 20 °C

6.1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); sodium hydride; potassium carbonate; N-ethyl-N,N-diisopropylamine; HATU; trifluoroacetic acid; sodium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; tetrachloromethane; ethanol; dichloromethane; water; N,N-dimethyl-formamide; mineral oil;

Reference yield:

: 1415256-20-0
1-((2'-(tert-butoxycarbonyl)biphenyl-4-yl)methyl)-2,3-dimethyl-1H-indole-5-carboxylic acid

: 1338259-06-5
(S)-4'-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 0.08 h

1.2: 0.5 h / 20 °C

2.1: trifluoroacetic acid / dichloromethane / 2 h / 20 °C

With N-ethyl-N,N-diisopropylamine; HATU; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;