3-(3-Methyl-1H-indol-1-yl)propan-1-amine

Base Information

• Chemical Name: 3-(3-Methyl-1H-indol-1-yl)propan-1-amine
• CAS No.: 61985-39-5
• Molecular Formula: C12H16N2
• Molecular Weight: 188.272
• DSSTox Substance ID: DTXSID30396443
• Wikidata: Q82197163
• Mol file: 61985-39-5.mol

Synonyms:61985-39-5;3-(3-Methyl-1H-indol-1-yl)propan-1-amine;1H-Indole-1-propanamine, 3-methyl-;3-(3-methylindol-1-yl)propan-1-amine;3-(3-methyl-indol-1-yl)-propylamine;DTXSID30396443

Chemical Property of 3-(3-Methyl-1H-indol-1-yl)propan-1-amine

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 188.131348519
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CN(C2=CC=CC=C12)CCCN

Technology Process of 3-(3-Methyl-1H-indol-1-yl)propan-1-amine

There total 1 articles about 3-(3-Methyl-1H-indol-1-yl)propan-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:

3-Methylindole (83-34-1) → 3-(3-methyl-indol-1-yl)-propylamine (61985-39-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Triton B / dioxane / 0 - 20 °C

2: H₂ / Raney-Ni / methanol

With hydrogen; N-benzyl-trimethylammonium hydroxide; nickel; In 1,4-dioxane; methanol;

DOI:10.1016/S0960-894X(98)00701-X

Reference yield:

3-(3-methyl-indol-1-yl)-propylamine (61985-39-5) → {4-[(S)-2-Acetylamino-2-(1-{(S)-2-carbamoyl-1-[3-(3-methyl-indol-1-yl)-propylcarbamoyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-ethyl]-benzyl}-phosphonic acid

Guidance literature:

Multi-step reaction with 4 steps

1: dimethylformamide / Ambient temperature

2: H₂ / 10 percent Pd/C / dimethylformamide; methanol; tetrahydrofuran / Ambient temperature

3: EDC, HOBt, N-methylmorpholine / dimethylformamide

4: 4M aq. HCl / acetonitrile

With 4-methyl-morpholine; hydrogenchloride; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; palladium on activated charcoal; In tetrahydrofuran; methanol; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1016/S0960-894X(98)00701-X

Reference yield:

3-(3-methyl-indol-1-yl)-propylamine (61985-39-5) → {4-[(S)-2-Acetylamino-2-(1-{(S)-2-carbamoyl-1-[3-(3-methyl-indol-1-yl)-propylcarbamoyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-ethyl]-benzyl}-phosphonic acid di-tert-butyl ester

Guidance literature:

Multi-step reaction with 3 steps

1: dimethylformamide / Ambient temperature

2: H₂ / 10 percent Pd/C / dimethylformamide; methanol; tetrahydrofuran / Ambient temperature

3: EDC, HOBt, N-methylmorpholine / dimethylformamide

With 4-methyl-morpholine; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; palladium on activated charcoal; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(98)00701-X

upstream raw materials:

3-Methylindole

Downstream raw materials:

11-Methyl-1-phenyl-4,5-dihydro-3H-[1,4]diazepino[1,2-a]indole