Tryptamine-d4 Hydrochloride

Base Information

• Chemical Name: Tryptamine-d4 Hydrochloride
• CAS No.: 340257-60-5
• Molecular Formula: C₁₀H₁₂N₂*ClH
• Molecular Weight: 200.648
• DSSTox Substance ID: DTXSID10481881
• Mol file: 340257-60-5.mol

Synonyms:Tryptamine-d4 Hydrochloride;340257-60-5;TRYPTAMINE-ALPHA,ALPHA,BETA,BETA-D4 HCL;1,1,2,2-tetradeuterio-2-(1H-indol-3-yl)ethanamine;hydrochloride;1H-Indole-3-ethanamine-d4 Hydrochloride;Tryptamine-d4 HCl;3-(2-Aminoethyl-d4)indole Hydrochloride;Tryptamine-d4 (hydrochloride);DTXSID10481881;F91416;J-019427

Chemical Property of Tryptamine-d4 Hydrochloride

Chemical Property:

• PSA: 41.81000
• LogP: 3.17140
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 200.1018331
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

NLT 98% ^*data from raw suppliers

Tryptamine-d4Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CCN.Cl
• Isomeric SMILES: [2H]C([2H])(C1=CNC2=CC=CC=C21)C([2H])([2H])N.Cl
• Uses: Labelled Tryptamine (T894600). Occurs in plants. Labelled Tryptamine (T894600). Occurs in plants. Tryptamine is a monoamine alkaloid found in plants. Tryptamine is commonly used in the preparation of biologically active compounds such as neurotransmitters and psychedelics.

Technology Process of Tryptamine-d4 Hydrochloride

There total 2 articles about Tryptamine-d4 Hydrochloride 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: 95.0%

indole-3-acetonitrile (771-51-7) → 2-(1H-indol-3-yl)ethan-1,1,2,2-d4-1-amine hydrochloride (340257-60-5,362049-48-7)

Guidance literature:

indole-3-acetonitrile; With water-d2; triethylamine; In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;

With samarium diiodide; In tetrahydrofuran; for 0.5h; Inert atmosphere;

With hydrogenchloride;

DOI:10.1021/acs.joc.1c01276

Reference yield: 39.0%

C10H6(2)H2N2 → 2-(1H-indol-3-yl)ethan-1,1,2,2-d4-1-amine hydrochloride (340257-60-5,362049-48-7)

Guidance literature:

C₁₀H₆⁽²⁾H₂N₂; With neodymium(II) diiodide; In toluene; at 25 ℃; for 0.666667h;

With cyclopentyl methyl ether hydrochloride;

upstream raw materials:

indole-3-acetonitrile

Refernces

• 1、 -. "Alpha, beta-deuterated amine compound, deuterated drug and preparation method thereof". . . Retrieved 2021/03/03.