2-Amino-9H-pyrido[2,3-b]indole

Base Information

• Chemical Name: 2-Amino-9H-pyrido[2,3-b]indole
• CAS No.: 26148-68-5
• Molecular Formula: C11H9 N3
• Molecular Weight: 183.213
• Hs Code.: 2933990090
• European Community (EC) Number: 811-637-6
• UNII: P0GZ1ICS6X
• DSSTox Substance ID: DTXSID7020001
• Nikkaji Number: J45.284J
• Wikidata: Q27155854
• Pharos Ligand ID: C69LCLWGJSMK
• Metabolomics Workbench ID: 45908
• ChEMBL ID: CHEMBL4567642
• Mol file: 26148-68-5.mol

Synonyms:2-amino-9H-pyrido(2,3-b)indole;2-amino-9H-pyrido(2,3-b)indole, D-labeled;2-amino-alpha-carboline

Chemical Property of 2-Amino-9H-pyrido[2,3-b]indole

Chemical Property:

• Appearance/Colour: Crystalline Solid
• Vapor Pressure: 5.68E-08mmHg at 25°C
• Melting Point: 194-196
• Refractive Index: 1.6500 (estimate)
• Boiling Point: 440.9°Cat760mmHg
• PKA: 14.87±0.40(Predicted)
• Flash Point: 250.7°C
• PSA: 54.70000
• Density: 1.393g/cm³
• LogP: 2.87950
• Storage Temp.: -20°C Freezer
• Solubility.: Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 183.079647300
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-9H-pyrido[2,3-b]indole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N
• Uses: A pyrolysate that exhibited mutagenic activity toward Salmonella typhimurium TA98 and TA100 from the pyrolytic products of soybean globulin. 2-Amino-9H-pyrido[2,3-b]indole (AαC) and 2-amino-3-methyl-9 H-pyrido[2,3-b]indole (MeAαC) are two mutagenic and carcinogenic heterocyclic amines formed during ordinary cooking.

Technology Process of 2-Amino-9H-pyrido[2,3-b]indole

There total 5 articles about 2-Amino-9H-pyrido[2,3-b]indole 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:

L-Tryptophan (73-22-3,27732-43-0,80206-30-0,27813-82-7) → betacarboline (244-63-3) + harmane (486-84-0) + 1-amino-9H-pyrido<3,4-b>indole (30684-41-4) + 2-amino-9H-pyrido[2,3-b]indole (26148-68-5)

Guidance literature:

at 400 - 500 ℃; for 1h; Further byproducts given;

DOI:10.1246/bcsj.56.1450

Reference yield:

L-Tryptophan (73-22-3,27732-43-0,80206-30-0,27813-82-7) → betacarboline (244-63-3) + harmane (486-84-0) + 3-amino-1-methyl-9H-pyrido<3,4-b>indole (84872-35-5) + 2-amino-9H-pyrido[2,3-b]indole (26148-68-5)

Guidance literature:

at 400 - 500 ℃; for 1h; Further byproducts given;

DOI:10.1246/bcsj.56.1450

Reference yield:

L-Tryptophan (73-22-3,27732-43-0,80206-30-0,27813-82-7) → betacarboline (244-63-3) + harmane (486-84-0) + 3-amino-1-methyl-5H-pyrido[4,3-b]indole (62450-07-1) + 2-amino-9H-pyrido[2,3-b]indole (26148-68-5)

Guidance literature:

at 400 - 500 ℃; for 1h; Further byproducts given;

DOI:10.1246/bcsj.56.1450

upstream raw materials:

L-Tryptophan

Downstream raw materials:

N-(9H-pyrido[2,3-b]indol-2-yl)-acetamide

2-nitro-9H-pyrido[2,3-b]indole

Refernces

• 1、 Tada,Saeki,Oikawa. "3,4-b.". . p. 1450 - 1454. Retrieved 2007/10/02.