1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde

Base Information

• Chemical Name: 1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
• CAS No.: 276862-85-2
• Molecular Formula: C8H6N2O
• Molecular Weight: 146.146
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20591788
• Wikidata: Q72505587
• Mol file: 276862-85-2.mol

Synonyms:1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;276862-85-2;1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde;1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde (9CI);MFCD11877845;3-Formyl-1H-pyrrolo[3,2-b]pyridine;SCHEMBL2265113;DTXSID20591788;JDIWXZAFVHTGBQ-UHFFFAOYSA-N;AMY25847;BCP27944;4-AZAINDOLE-3-CARBOXALDEHYDE;AKOS006358457;AB65002;CS-W020024;AC-22989;DS-13582;SY065692;1H-Pyrrolo[3,2-b]pyridin-3-carbaldehyde;DB-027634;A21674;EN300-193906;1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde(9ci);J-504778;Z1203747933

Chemical Property of 1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde

Chemical Property:

• Vapor Pressure: 2.12E-05mmHg at 25°C
• Refractive Index: 1.747
• Boiling Point: 361.1 °C at 760 mmHg
• PKA: 13.16±0.40(Predicted)
• Flash Point: 176 °C
• PSA: 45.75000
• Density: 1.368 g/cm³
• LogP: 1.37540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.048012819
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=CN2)C=O)N=C1

Technology Process of 1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde

There total 2 articles about 1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde 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: 89.0%

1H-pyrrolo[3,2-b]pyridine (272-49-1) + hexamethylenetetramine (100-97-0) → 1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde (276862-85-2)

Guidance literature:

With water; acetic acid; for 4h; Reflux;

Reference yield: 46.0%

→ 1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde (276862-85-2)

Guidance literature:

Reference yield:

1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde (276862-85-2) + p-toluenesulfonyl chloride (98-59-9) → 1-tosyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde

Guidance literature:

1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.166667h; Inert atmosphere;

p-toluenesulfonyl chloride; In N,N-dimethyl-formamide; at 0 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.bmc.2014.09.015

upstream raw materials:

1H-pyrrolo[3,2-b]pyridine

hexamethylenetetramine

Downstream raw materials:

2-((3-methoxyphenyl)amino)-2-phenyl-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone

Refernces

• 1、 Talukder, Poulami,Chen, Shengxi,Liu, C. Tony,Baldwin, Edwin A.,Benkovic, Stephen J.,Hecht, Sidney M.. "Tryptophan-based fluorophores for studying protein conformational changes". supporting information. p. 5924 - 5934. Retrieved 2015/01/09.
• 2、 -. "3-Amino-1-arylpropyl azaindoles and uses thereof". Page/Page column 35. . Retrieved 2008/06/13.