5-Methyltryptamine hydrochloride

Base Information

• Chemical Name: 5-Methyltryptamine hydrochloride
• CAS No.: 1010-95-3
• Molecular Formula: C11H14 N2 . Cl H
• Molecular Weight: 210.706
• Hs Code.: 2942000000
• European Community (EC) Number: 213-777-8
• DSSTox Substance ID: DTXSID40143627
• Mol file: 1010-95-3.mol

Synonyms:5-methyltryptamine;5-methyltryptamine hydrochloride;5-methyltryptamine monohydrochloride

Chemical Property of 5-Methyltryptamine hydrochloride

Chemical Property:

• Vapor Pressure: 3.16E-05mmHg at 25°C
• Melting Point: 289-292 ºC (dec.)
• Boiling Point: 355.3°Cat760mmHg
• Flash Point: 195.9°C
• PSA: 41.81000
• Density: 1.126g/cm³
• LogP: 3.47980
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 210.0923762
• Heavy Atom Count: 14
• Complexity: 170

Purity/Quality:

99%MIN ^*data from raw suppliers

5-MethyltryptamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)NC=C2CCN.Cl
• Uses: 5-Methyltryptamine hydrochloride is a methylated derivative of tryptamine, it is a weak antagonist of 5-Hydroxytryptamine (H974990) with weak potency as stimulants of the cardiac sympathetic nerves. 5-Methyltryptamine hydrochloride is also used in the preparation of inhibitors of kinesin spindle protein (KSP), a promising class of anticancer agents. reactant in synthesis of kinesin spindle protein (KSP) inhibitorsreactant in intramolecular furan Diels-Alder reactionsreactant in Pictet-Spengler-like reactions

Technology Process of 5-Methyltryptamine hydrochloride

There total 4 articles about 5-Methyltryptamine 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: 64.0%

3-(2-amino-ethyl)-5-methyl-indole-2-carboxylic acid (104510-00-1) → 5-methyltryptamine hydrochloride (1010-95-3)

Guidance literature:

With hydrogenchloride; for 2h; Heating;

DOI:10.1021/jm00051a007

Reference yield: 60.6%

4-chloro-1-hydroxy-1-butanesulfonate sodium (54322-20-2) + p-tolylhydrazine hydrochloride (637-60-5,35467-65-3) → 5-methyltryptamine hydrochloride (1010-95-3)

Guidance literature:

With disodium hydrogenphosphate; In ethanol; water; at 75 ℃; for 0.5h; pH=6-7;

Reference yield: 57.0%

4-aminobutyrylaldehyde diethylacetal (6346-09-4) + p-tolylhydrazine hydrochloride (637-60-5,35467-65-3) → 5-methyltryptamine hydrochloride (1010-95-3)

Guidance literature:

With zinc(II) chloride; In toluene; at 100 ℃; for 1h;

DOI:10.1016/j.bmcl.2016.08.064

upstream raw materials:

3-(2-amino-ethyl)-5-methyl-indole-2-carboxylic acid

6-methyl-2,3,4,9-tetrahydro-β-carbolin-1-one

4-aminobutyrylaldehyde diethylacetal

p-tolylhydrazine hydrochloride

Downstream raw materials:

6-methyl-1-[(2-chloro-3,4-dimethoxyphenyl)-methyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole hydrochloride

N-benzyl-2-(5-methyl-1H-indol-3-yl)ethan-1-amine

N-allyl-N-benzyl-(5-methyl)tryptamine

C₂₁H₂₄N₂

Refernces

• 1、 -. "Indole amide compound with antitumor activity for treating cancer". Paragraph 0021; 0022. . Retrieved 2018/10/27.