2-Benzyltryptamine

Base Information

• Chemical Name: 2-Benzyltryptamine
• CAS No.: 22294-23-1
• Molecular Formula: C17H18 N2
• Molecular Weight: 250.34
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00355860
• Nikkaji Number: J2.645.901J
• Wikidata: Q82134917
• ChEMBL ID: CHEMBL1882692
• Mol file: 22294-23-1.mol

Synonyms:2-Benzyltryptamine;22294-23-1;2-(2-benzyl-1H-indol-3-yl)ethanamine;1H-Indole-3-ethanamine,2-(phenylmethyl)-;b-benzyltryptamine;HMS2803L13;2-(Phenylmethyl)-1H-indole-3-ethanamine;MLS001180136;SCHEMBL8804026;CHEMBL1882692;DTXSID00355860;VTOQIOPOYZGUQS-UHFFFAOYSA-N;AKOS030240129;SMR000475776;FT-0663071;J-014628

Chemical Property of 2-Benzyltryptamine

Chemical Property:

• Vapor Pressure: 3.66E-08mmHg at 25°C
• Melting Point: 156-158°C
• Refractive Index: 1.665
• Boiling Point: 446.4°C at 760 mmHg
• PKA: 17.66±0.30(Predicted)
• Flash Point: 254.2°C
• PSA: 41.81000
• Density: 1.149g/cm³
• LogP: 3.96020
• Storage Temp.: -20°C Freezer
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 250.146998583
• Heavy Atom Count: 19
• Complexity: 272

Purity/Quality:

97% ^*data from raw suppliers

2-Benzyltryptamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3N2)CCN

Technology Process of 2-Benzyltryptamine

There total 15 articles about 2-Benzyltryptamine 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: 85.0%

1-Acetyl-2-benzyl-3-cyanomethylindole (124530-98-9) → 2-(2-benzyl-1H-indol-3-yl)ethanamine (22294-23-1)

Guidance literature:

With sodium hydroxide; hydrogen; nickel; In methanol; Ambient temperature;

DOI:10.1055/s-1989-27289

Reference yield: 83.0%

2-Benzyl-3-cyanomethylindole (13492-51-8) → 2-(2-benzyl-1H-indol-3-yl)ethanamine (22294-23-1)

Guidance literature:

With sodium hydroxide; hydrogen; nickel; In methanol; Ambient temperature;

DOI:10.1055/s-1989-27289

Reference yield: 36.0%

1-phenyl-2,3,4,9-tetrahydro-1H-pyrido<3,4-b>indole hydrochloride (3574-01-4) → 1-phenyl-9H-pyrido[3,4-b]indole (16765-79-0) + 2-(2-benzyl-1H-indol-3-yl)ethanamine (22294-23-1)

Guidance literature:

With 5 mol% Pd/C; lithium carbonate; In ethanol; at 150 ℃; for 0.05h; Sealed tube; Microwave irradiation;

DOI:10.1002/ejoc.201301580

upstream raw materials:

2-Benzyl-3-cyanomethylindole

1-Acetyl-2-benzyl-3-cyanomethylindole

benzaldehyde

(R)-[2-(1H-indol-3-yl)-ethyl]-(1-naphthalen-1-yl-ethyl)-amine

Refernces

• 1、 Kawate, Tomohiko,Yamanaka, Masamichi,Nakagawa, Masako. "Chiral auxiliary approach to the asymmetric Pictet-Spengler reaction of tryptamines". . p. 1033 - 1039. Retrieved 2007/10/03.
• 2、 Buzas, A.,Merour, J. Y.. "Synthesis and Reactions of 1-Acetyl-2-benzylidene-3-oxo-2,3-dihydroindoles". . p. 458 - 461. Retrieved 2007/10/02.