1H-Pyrrolo[2,3-b]pyridin-1-amine

Base Information

• Chemical Name: 1H-Pyrrolo[2,3-b]pyridin-1-amine
• CAS No.: 161264-46-6
• Molecular Formula: C7H7 N3
• Molecular Weight: 133.153
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90411282
• Nikkaji Number: J2.021.578J
• Wikidata: Q82217872
• Mol file: 161264-46-6.mol

Synonyms:1H-Pyrrolo[2,3-b]pyridin-1-amine;161264-46-6;pyrrolo[2,3-b]pyridin-1-amine;1H-Pyrrolo[2,3-b]pyridin-1-amine(9CI);pyrrolo[2,3-b]pyridin-1-ylamine;SCHEMBL3223817;DTXSID90411282;YKDJLEIIKHBILS-UHFFFAOYSA-N;pyrrolo[2,3-b]pyridine-1-ylamine;N-amino-1h-pyrrolo[2,3-b]pyridine;AKOS016015911;FT-0723820;EN300-7643906;F2197-0339

Chemical Property of 1H-Pyrrolo[2,3-b]pyridin-1-amine

Chemical Property:

• Boiling Point: 317.4±34.0 °C(Predicted)
• PKA: 5.87±0.30(Predicted)
• PSA: 43.84000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 1.33130
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.063997236
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

98%min ^*data from raw suppliers

1H-Pyrrolo[2,3-b]pyridin-1-amine 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(N=C1)N(C=C2)N
• Uses: 1H-Pyrrolo[2,3-b]pyridin-1-amine is an intermediate in the preparation of PGDS inhibitors which are used for the treatment of allergic and inflammatory diseases.

Technology Process of 1H-Pyrrolo[2,3-b]pyridin-1-amine

There total 1 articles about 1H-Pyrrolo[2,3-b]pyridin-1-amine 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: 97.0%

7-Azaindole (271-63-6) → 1-H-pyrrolo<2,3-b>pyridin-1-amine (161264-46-6)

Guidance literature:

7-Azaindole; With potassium tert-butylate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

With chloroamine; tert-butyl methyl ether; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

DOI:10.1021/jo035587p

Reference yield: 95.0%

1-H-pyrrolo<2,3-b>pyridin-1-amine (161264-46-6) + 4-nitro-benzoic acid (62-23-7) → 4-nitro-N-(1H-pyrrolo[2,3-b]pyridin-1-yl)benzamide

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1021/acs.joc.9b01598

Reference yield: 92.0%

4-Bromobenzoic acid (586-76-5) + 1-H-pyrrolo<2,3-b>pyridin-1-amine (161264-46-6) → 4-bromo-N-(1H-pyrrolo[2,3-b]pyridin-1-yl)benzamide

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1021/acs.joc.9b01598

upstream raw materials:

7-Azaindole

Downstream raw materials:

2-(3-fluoro-phenyl)-pyrimidine-5-carboxylic acid pyrrolo[2,3-b]pyridin-1-ylamide

2-(3-fluoro-phenyl)-4-methyl-pyrimidine-5-carboxylic acid pyrrolo[2,3-b]pyridin-1-ylamide

1-amino-1H-pyrrolo[2,3-b]pyridinium 2,4,6-trimethylphenylsulfonate