4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine

Base Information

• Chemical Name: 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine
• CAS No.: 191034-25-0
• Molecular Formula: C₂₄H₂₀BrClN₂O
• Molecular Weight: 467.793
• UNII: TY8UDT6Z37
• DSSTox Substance ID: DTXSID10415520
• Nikkaji Number: J1.074.976J
• Wikidata: Q82224456
• Pharos Ligand ID: 2M5J69UF6MNB
• ChEMBL ID: CHEMBL351772
• Mol file: 191034-25-0.mol

Synonyms:2-(4-pyridyl)-5-(4-chlorophenyl)-3-(5-bromo-2-propyloxyphenyl)pyrrole;L 168,049;L 168049;L-168,049;L-168049

Chemical Property of 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine

Chemical Property:

• Vapor Pressure: 2.83E-11mmHg at 25°C
• Boiling Point: 542.3°Cat760mmHg
• Flash Point: 281.8°C
• PSA: 37.91000
• Density: 1.367g/cm³
• LogP: 7.61540
• Storage Temp.: Store at RT
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 466.04475
• Heavy Atom Count: 29
• Complexity: 495

Purity/Quality:

≥99% by HPLC ^*data from raw suppliers

L-168,049 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=C(C=C(C=C1)Br)C2=C(NC(=C2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4
• Uses: L- is a potent (Kb = 25 nM), selective antagonist of glucagon.

Technology Process of 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine

There total 5 articles about 4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine 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: 90.0%

2-(5-bromo-2-propoxy-phenyl)-4-(4-chloro-phenyl)-1-pyridin-4-yl-butane-1,4-dione → L 168049 (191034-25-0)

Guidance literature:

With ammonium acetate; acetic acid; at 110 ℃;

DOI:10.1016/S0960-894X(99)00081-5

Reference yield:

pyridine-4-carbaldehyde (872-85-5) → L 168049 (191034-25-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NaCN / dimethylformamide

2: 90 percent / NH₄OAc, AcOH / 110 °C

With sodium cyanide; ammonium acetate; acetic acid; In N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(99)00081-5

Reference yield:

para-chloroacetophenone (99-91-2) → L 168049 (191034-25-0)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOH / ethanol

2: NaCN / dimethylformamide

3: 90 percent / NH₄OAc, AcOH / 110 °C

With sodium hydroxide; sodium cyanide; ammonium acetate; acetic acid; In ethanol; N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(99)00081-5

upstream raw materials:

pyridine-4-carbaldehyde

para-chloroacetophenone

5-bromo-2-propoxybenzaldehyde

Refernces