3-bromo-1H-pyrrolo[3,2-c]pyridine

Base Information

• Chemical Name: 3-bromo-1H-pyrrolo[3,2-c]pyridine
• CAS No.: 23612-36-4
• Molecular Formula: C7H5 Br N2
• Molecular Weight: 197.032
• Hs Code.: 2933990090
• European Community (EC) Number: 640-635-6
• DSSTox Substance ID: DTXSID50576947
• Wikidata: Q82466831
• Mol file: 23612-36-4.mol

Synonyms:3-bromo-1H-pyrrolo[3,2-c]pyridine;23612-36-4;3-Bromo-5-azaindole;1H-Pyrrolo[3,2-c]pyridine, 3-bromo-;MFCD08690126;SCHEMBL10587;AMY9458;DTXSID50576947;RCDKYXWNDBRDRE-UHFFFAOYSA-N;AKOS006281436;CS-W006499;PB16059;PS-4748;SY065440;Ac-3,5-diamino-4-(4-methoxyphenoxy)-Phe-OEt;EN300-729573;A816799;W-206836

Chemical Property of 3-bromo-1H-pyrrolo[3,2-c]pyridine

Chemical Property:

• Vapor Pressure: 5.79E-05mmHg at 25°C
• Refractive Index: 1.727
• Boiling Point: 357°Cat760mmHg
• Flash Point: 169.7°C
• PSA: 28.68000
• Density: 1.77g/cm³
• LogP: 2.32540
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.96361
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromo-5-azaindole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC2=C1NC=C2Br

Technology Process of 3-bromo-1H-pyrrolo[3,2-c]pyridine

There total 2 articles about 3-bromo-1H-pyrrolo[3,2-c]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: 84.0%

→ 3-bromo-1H-pyrrolo[3,2-c]pyridine (23612-36-4)

Guidance literature:

With copper(ll) bromide; In acetonitrile; at 20 ℃; for 1h;

With ammonium hydroxide; In methanol; acetonitrile; at 20 ℃; for 0.5h;

Reference yield: 80.0%

5-azaindole (271-34-1) → 3-bromo-1H-pyrrolo[3,2-c]pyridine (23612-36-4)

Guidance literature:

With copper(ll) bromide; In acetonitrile; at 20 ℃;

DOI:10.1055/s-2007-967998

Reference yield: 97.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-bromo-1H-pyrrolo[3,2-c]pyridine (23612-36-4) → tert-butyl 3-bromo-1H-pyrrolo[3,2-c]pyridine-1-carboxylate (192189-16-5)

Guidance literature:

With dmap; In tetrahydrofuran; at 17 - 20 ℃;

upstream raw materials:

5-azaindole

Downstream raw materials:

tert-butyl 3-bromo-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

2-(5-azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b;2',3'-e][1,4]diazepin-6-one

tert-butyl 3-(4-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate

3-(4-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine

Refernces

• 1、 -. "PYRAZOLOPYRAZINE DERIVED COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USE THEREOF". Paragraph 0174-0178. . Retrieved 2022/02/27.
• 2、 -. "New Enzyme Inhibitor Compounds". Paragraph 0181; 0182. . Retrieved 2013/05/08.