5-iso-Propyl-N,N-dimethyltryptamine

Base Information

• Chemical Name: 5-iso-Propyl-N,N-dimethyltryptamine
• CAS No.: 156281-04-8
• Molecular Formula: C₁₅H₂₂N₂
• Molecular Weight: 230.353
• DSSTox Substance ID: DTXSID70376406
• Nikkaji Number: J1.374.506D
• Wikidata: Q82165343
• Pharos Ligand ID: YYV5AZZFU7JV
• ChEMBL ID: CHEMBL300519
• Mol file: 156281-04-8.mol

Synonyms:5-iso-Propyl-N,N-dimethyltryptamine;156281-04-8;N,N-dimethyl-2-(5-propan-2-yl-1H-indol-3-yl)ethanamine;CHEMBL300519;DTXSID70376406;BDBM50090519;AKOS015909393;FT-0620531;N,N-Dimethyl-5-isopropyl-1H-indole-3-ethanamine;[2-(5-Isopropyl-1H-indol-3-yl)-ethyl]-dimethyl-amine;2-(5-isopropyl-1H-indol-3-yl)-N,N-dimethylethanamine

Chemical Property of 5-iso-Propyl-N,N-dimethyltryptamine

Chemical Property:

• Vapor Pressure: 1.67E-05mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 364.5°C at 760 mmHg
• Flash Point: 174.3°C
• PSA: 19.03000
• Density: 1.023g/cm³
• LogP: 3.39540
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 230.178298710
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

98%Min ^*data from raw suppliers

5-ISO-PROPYL-N,N-DIMETHYLTRYPTAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC2=C(C=C1)NC=C2CCN(C)C

Technology Process of 5-iso-Propyl-N,N-dimethyltryptamine

There total 4 articles about 5-iso-Propyl-N,N-dimethyltryptamine 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: 91.0%

4-(N,N-dimethylamino)butyraldehyde dimethyl acetal (19718-92-4) + (4-isopropylphenyl)hydrazine hydrochloride (118427-29-5) → N,N-Dimethyl-5-isopropyl-1H-indole-3-ethanamine (156281-04-8)

Guidance literature:

With sulfuric acid; for 2h; Heating;

DOI:10.1021/jo00092a046

Reference yield:

2-(5-isopropyl-1H-indol-3-yl)-N,N-dimethyl-2-oxo-acetamide → N,N-Dimethyl-5-isopropyl-1H-indole-3-ethanamine (156281-04-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 4h; Heating;

DOI:10.1016/S0960-894X(00)00322-X

Reference yield:

5-(isopropyl)-1H-indole (97820-51-4) → N,N-Dimethyl-5-isopropyl-1H-indole-3-ethanamine (156281-04-8)

Guidance literature:

Multi-step reaction with 3 steps

1: diethyl ether / Heating

2: Et₃N / tetrahydrofuran / 2 h / 20 °C

3: LAH / tetrahydrofuran / 4 h / Heating

With lithium aluminium tetrahydride; triethylamine; In tetrahydrofuran; diethyl ether; 1: Acylation / 2: Acylation / 3: Reduction;

DOI:10.1016/S0960-894X(00)00322-X

upstream raw materials:

4-(N,N-dimethylamino)butyraldehyde dimethyl acetal

(4-isopropylphenyl)hydrazine hydrochloride

5-(isopropyl)-1H-indole