1H-indol-3-amine

Base Information

• Chemical Name: 1H-indol-3-amine
• CAS No.: 7250-19-3
• Molecular Formula: C8H8N2
• Molecular Weight: 132.165
• Hs Code.: 2933990090
• NSC Number: 24933
• DSSTox Substance ID: DTXSID40282207
• Nikkaji Number: J83.297I
• Wikidata: Q27103796
• Metabolomics Workbench ID: 51787
• Mol file: 7250-19-3.mol

Synonyms:indolamine

Chemical Property of 1H-indol-3-amine

Chemical Property:

• Vapor Pressure: 3.46E-05mmHg at 25°C
• Melting Point: 117℃
• Refractive Index: 1.757
• Boiling Point: 353.954 °C at 760 mmHg
• PKA: 17.68±0.30(Predicted)
• Flash Point: 195.023 °C
• PSA: 41.81000
• Density: 1.269 g/cm³
• LogP: 2.33130
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 132.068748264
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

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

1H-indol-3-amine ^*data from reagent suppliers

Safty Information:

• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)N

Technology Process of 1H-indol-3-amine

There total 10 articles about 1H-indol-3-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: 100.0%

3-nitro-1H-indole (4770-03-0) → 3-aminoindole (7250-19-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃;

Reference yield: 90.0%

3-Nitrosoindole (10447-92-4) → 3-aminoindole (7250-19-3)

Guidance literature:

With sodium hydroxide; sodium dithionite; In ethanol; water; for 4h; Heating;

Reference yield:

benzyl (1H-indol-3-yl)carbamate (36982-36-2) → 3-aminoindole (7250-19-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; for 4h;

DOI:10.1016/j.molstruc.2021.130566

upstream raw materials:

3-nitro-1H-indole

3-Nitrosoindole

3-oximino-3H-indole

indole

Downstream raw materials:

N-(1H-indol-3-yl)acetamide

N-(1H-indol-3-yl)formamide

tert-butyl 1H-indol-3-ylcarbamate

4-amino-N-indol-3-yl-benzenesulfonamide

Refernces

• 1、 Lafzi, Ferruh,Kilic, Deryanur,Yildiz, Melike,Saracoglu, Nurullah. "Design, synthesis, antimicrobial evaluation, and molecular docking of novel chiral urea/thiourea derivatives bearing indole, benzimidazole, and benzothiazole scaffolds". . . Retrieved 2021/05/27.
• 2、 Pedras, M. Soledade C.,Yaya, Estifanos E.. "The first isocyanide of plant origin expands functional group diversity in cruciferous phytoalexins: Synthesis, structure and bioactivity of isocyalexin A". supporting information; experimental part. p. 3613 - 3616. Retrieved 2012/06/18.