Indole, 3-(2-amino-3-(diethylamino)propyl)-, (S)-

Base Information

• Chemical Name: Indole, 3-(2-amino-3-(diethylamino)propyl)-, (S)-
• CAS No.: 53708-57-9
• Deprecated CAS: 101832-72-8
• Molecular Formula: C15H23N3
• Molecular Weight: 245.3632
• DSSTox Substance ID: DTXSID50201964
• Nikkaji Number: J3.611.383I
• Wikidata: Q76003158
• Mol file: 53708-57-9.mol

Synonyms:INDOLE, 3-(2-AMINO-3-(DIETHYLAMINO)PROPYL)-, (S)-;(S)-3-(2-Amino-3-(diethylamino)propyl)indole;1,2-Propanediamine, N(1),N(1)-diethyl-3-(1H-indol-3-yl)-, (S)-;53708-57-9;DTXSID50201964;LS-82263;J3.611.383I;(S)-N,N-Diethyl-3-(1H-indole-3-yl)propane-1,2-diamine

Chemical Property of Indole, 3-(2-amino-3-(diethylamino)propyl)-, (S)-

Chemical Property:

• Vapor Pressure: 1.11E-06mmHg at 25°C
• Boiling Point: 402.2°Cat760mmHg
• Flash Point: 197.1°C
• Density: 1.073g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 245.189197746
• Heavy Atom Count: 18
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CC(CC1=CNC2=CC=CC=C21)N
• Isomeric SMILES: CCN(CC)C[C@H](CC1=CNC2=CC=CC=C21)N

Technology Process of Indole, 3-(2-amino-3-(diethylamino)propyl)-, (S)-

There total 1 articles about Indole, 3-(2-amino-3-(diethylamino)propyl)-, (S)- 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:

(S)-benzyl 1-(diethylamino)-3-(1H-indol-3-yl)propan-2-ylcarbamate (1192024-81-9) → C15H23N3 (53708-57-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; acetic acid; at 20 ℃; for 24h;

DOI:10.1002/anie.200903635

Reference yield: 85.0%

C15H23N3 (53708-57-9) + 3,5-bistrifluoromethylphenylisothiocyanate (23165-29-9) → (S)-1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-(diethylamino)-3-(1H-indol-3-yl)propan-2-yl)thiourea (1192024-76-2)

Guidance literature:

In tetrahydrofuran;

DOI:10.1002/anie.200903635

Reference yield:

C15H23N3 (53708-57-9) + 4-fluorophenyl isothiocyanate (1544-68-9) → (S)-1-(1-(diethylamino)-3-(1H-indol-3-yl)propan-2-yl)-3-(4-fluorophenyl)thiourea (1192024-77-3)

Guidance literature:

In tetrahydrofuran;

DOI:10.1002/anie.200903635

upstream raw materials:

(S)-benzyl 1-(diethylamino)-3-(1H-indol-3-yl)propan-2-ylcarbamate

Downstream raw materials:

(S)-1-(3,5-bis(trifluoromethyl)phenyl)-3-(1-(diethylamino)-3-(1H-indol-3-yl)propan-2-yl)thiourea

(S)-1-(1-(diethylamino)-3-(1H-indol-3-yl)propan-2-yl)-3-(4-fluorophenyl)thiourea

(S)-1-(1-(diethylamino)-3-(1H-indol-3-yl)propan-2-yl)-3-(4-nitrophenyl)thiourea

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