1H-Indol-5-amine, 1-(3,5-dimethylphenyl)-

Base Information

• Chemical Name: 1H-Indol-5-amine, 1-(3,5-dimethylphenyl)-
• CAS No.: 360045-07-4
• Molecular Formula: C16H16N2
• Molecular Weight: 236.316
• DSSTox Substance ID: DTXSID40459472
• Nikkaji Number: J1.590.595F
• Wikidata: Q82283248
• Mol file: 360045-07-4.mol

Synonyms:360045-07-4;1-(3,5-dimethylphenyl)indol-5-amine;1H-Indol-5-amine, 1-(3,5-dimethylphenyl)-;1-(3,5-Dimethylphenyl)-1H-indol-5-amine;SCHEMBL4629027;DTXSID40459472;VMJINDHDVAPUTI-UHFFFAOYSA-N;1-(3,5-dimethylphenyl)-5-aminoindole;5-amino-1-(3,5-dimethylphenyl)indole;1-(3,5-Dimethylphenyl)-1H-indole-5-amine

Chemical Property of 1H-Indol-5-amine, 1-(3,5-dimethylphenyl)-

Chemical Property:

• PSA: 30.95000
• LogP: 4.41070
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 236.131348519
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)N2C=CC3=C2C=CC(=C3)N)C

Technology Process of 1H-Indol-5-amine, 1-(3,5-dimethylphenyl)-

There total 4 articles about 1H-Indol-5-amine, 1-(3,5-dimethylphenyl)- 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: 98.0%

5-amino-1H-indole (5192-03-0) + 3,5-dimethylphenyl iodide (22445-41-6) → 1-(3,5-dimethylphenyl)-5-aminoindole (360045-07-4)

Guidance literature:

With potassium phosphate; copper(l) iodide; (S,S)-1,2-diaminocyclohexane; In 1,4-dioxane; dodecane; at 110 ℃; for 24h;

DOI:10.1021/ja016226z

Reference yield: 81.9%

1-(3,5-dimethyl-phenyl)-5-nitro-1H-indole (852042-10-5) → 1-(3,5-dimethylphenyl)-5-aminoindole (360045-07-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃; for 3h;

DOI:10.1016/j.bmc.2005.03.002

Reference yield: 74.0%

5-amino-1H-indole (5192-03-0) + 3,5-dimethylphenyl benzenesulfonate (61019-00-9) → 1-(3,5-dimethylphenyl)-5-aminoindole (360045-07-4) + 5-(3,5-dimethylphenylamino)indole

Guidance literature:

With palladium diacetate; XPhos; phenylboronic acid; potassium carbonate; In tert-butyl alcohol; at 110 ℃; for 3h;

DOI:10.1021/ja035483w

upstream raw materials:

5-amino-1H-indole

3,5-dimethylphenyl iodide

3,5-dimethylphenyl benzenesulfonate

1-(3,5-dimethyl-phenyl)-5-nitro-1H-indole

Downstream raw materials:

N-[1-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-C,C,C-trifluoro-methanesulfonamide

N-[1-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-methanesulfonamide