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

Base Information

• Chemical Name: 3-Iodo-1H-pyrrolo[2,3-b]pyridine
• CAS No.: 23616-57-1
• Molecular Formula: C7H5IN2
• Molecular Weight: 244.035
• Hs Code.: 29339900
• European Community (EC) Number: 625-284-9
• DSSTox Substance ID: DTXSID50418797
• Nikkaji Number: J119.284A
• Mol file: 23616-57-1.mol

Synonyms:3-Iodo-1H-pyrrolo[2,3-b]pyridine;23616-57-1;3-Iodo-7-azaindole;1H-Pyrrolo[2,3-b]pyridine, 3-iodo-;MFCD06659023;3-Iodo-7-azaindole, 95%;SCHEMBL412615;3-Iodo-1,7-diaza-1H-indene;DTXSID50418797;BCP26692;AKOS005072828;FA-0722;PB10376;SB10288;SY019306;AM20050981;CS-0004128;FT-0645380;EN300-171385;I-7496;Z1269158296

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

Chemical Property:

• Vapor Pressure: 4.53E-05mmHg at 25°C
• Melting Point: 190-194 °C
• Refractive Index: 1.787
• Boiling Point: 360.7 °C at 760 mmHg
• PKA: 6.07±0.20(Predicted)
• Flash Point: 171.9 °C
• PSA: 28.68000
• Density: 2.082 g/cm³
• LogP: 2.16750
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C
• Sensitive.: Light Sensitive
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 243.94975
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(NC=C2I)N=C1

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

There total 1 articles about 3-Iodo-1H-pyrrolo[2,3-b]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: 60.0%

7-Azaindole (271-63-6) → 2-iodo-1H-pyrrolo[2,3-b]pyridine (1227270-32-7) + 3-iodo-1H-pyrrolo[2,3-b]pyridine (23616-57-1)

Guidance literature:

With Iodine monochloride; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2012.05.053

Reference yield: 98.0%

benzenesulfonyl chloride (98-09-9) + 3-iodo-1H-pyrrolo[2,3-b]pyridine (23616-57-1) → 3-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine (887115-53-9)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In dichloromethane;

DOI:10.1021/acs.jmedchem.0c02064

Reference yield: 97.0%

p-toluenesulfonyl chloride (98-59-9) + 3-iodo-1H-pyrrolo[2,3-b]pyridine (23616-57-1) → 3-iodo-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine (664982-01-8)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; potassium hydroxide; In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere; Reflux;

DOI:10.1016/j.tet.2013.01.001

upstream raw materials:

7-Azaindole

Downstream raw materials:

tert-butyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

3-[(4-fluorophenyl)thio]-1H-pyrrolo[2,3-b]pyridine

1-(tert-butyl-dimethyl-silanyl)-3-iodo-1H-pyrrolo[2,3-b]pyridine

3-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine