Propionamide, N-(2-(3-indolyl)ethyl)-

Base Information

• Chemical Name: Propionamide, N-(2-(3-indolyl)ethyl)-
• CAS No.: 65601-06-1
• Molecular Formula: C13H16N2O
• Molecular Weight: 216.283
• DSSTox Substance ID: DTXSID00215859
• Nikkaji Number: J558.212A
• Wikidata: Q83091976
• Metabolomics Workbench ID: 133108
• ChEMBL ID: CHEMBL37514
• Mol file: 65601-06-1.mol

Synonyms:Propionamide, N-(2-(3-indolyl)ethyl)-;N-[2-(1H-indol-3-yl)ethyl]propanamide;65601-06-1;BRN 0400664;N-(2-(3-Indolyl)ethyl)propionamide;CHEMBL37514;5-22-10-00077 (Beilstein Handbook Reference);N-Propionyltryptamine;N-[2-(1H-Indol-3-yl)-ethyl]-propionamide;MLS000523733;SCHEMBL761155;DTXSID00215859;HMS2364F06;BDBM50212910;STK057078;AKOS005386548;NCGC00245325-01;SMR000122806;N-(2-(1H-indol-3-yl)ethyl)propionamide;LS-124238;EN300-10484321;SR-01000394482;SR-01000394482-1;Z26395465

Chemical Property of Propionamide, N-(2-(3-indolyl)ethyl)-

Chemical Property:

• Vapor Pressure: 1.2E-09mmHg at 25°C
• Boiling Point: 487.3°C at 760 mmHg
• Flash Point: 248.5°C
• Density: 1.137g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 216.126263138
• Heavy Atom Count: 16
• Complexity: 242

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)NCCC1=CNC2=CC=CC=C21

Technology Process of Propionamide, N-(2-(3-indolyl)ethyl)-

There total 1 articles about Propionamide, N-(2-(3-indolyl)ethyl)- 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:

tryptamine (61-54-1) + S-propionyl-coenzyme-A (317-66-8) → N-<2-(1H-indol-3-yl)ethyl>propanamide (65601-06-1)

Guidance literature:

With dipyridin-4-yl disulfide; wild-type arylalkylamine N-acyltransferase from Tribolium castaneum; In aq. buffer; pH=8; Kinetics; Enzymatic reaction;

DOI:10.1021/acschembio.9b00973

Reference yield: 91.0%

N-<2-(1H-indol-3-yl)ethyl>propanamide (65601-06-1) + 1-Bromo-2-bromomethyl-benzene (3433-80-5) → N-propanoyl 2-[1-(2-bromobenzyl)indol-3-yl]ethanamine

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1021/jm980684+

Reference yield: 85.0%

N-<2-(1H-indol-3-yl)ethyl>propanamide (65601-06-1) → 1-ethyl-9H-β-carboline (20127-61-1)

Guidance literature:

N-<2-(1H-indol-3-yl)ethyl>propanamide; With trifluoromethylsulfonic anhydride; Triphenylphosphine oxide; In chlorobenzene; at 20 - 130 ℃;

With manganese(IV) oxide; In chlorobenzene; at 130 ℃; for 4h;

DOI:10.1055/s-0029-1217138

upstream raw materials:

tryptamine

S-propionyl-coenzyme-A

Downstream raw materials:

pimprinethine

1-ethyl-9H-β-carboline

11b-ethyl-3-(4-fluorophenyl)-5,6,11,11b-tetrahydro[1,2,4]oxadiazolo[4',5':1,2]pyrido[3,4-b]indole

1-(3-{2-[3,5-bis(4-fluorophenyl)-2-oxido-1H-1,2,4-triazol-1-yl]ethyl}-1H-indol-2-yl)-propan-1-one