1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine

Base Information

• Chemical Name: 1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine
• CAS No.: 343-93-1
• Molecular Formula: C11H13FN2
• Molecular Weight: 192.236
• Hs Code.: 2933990090
• European Community (EC) Number: 671-593-7
• DSSTox Substance ID: DTXSID90379050
• Wikidata: Q72479856
• Mol file: 343-93-1.mol

Synonyms:6-Fluorogramine;343-93-1;1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine;[(6-fluoro-1H-indol-3-yl)methyl]dimethylamine;MFCD00056918;Phenol,2-chloro-5-methyl-;SCHEMBL1241322;DTXSID90379050;PAAOUYLDLVHKKR-UHFFFAOYSA-N;AKOS005259139;6-Fluoro-3-(dimethylaminomethyl)indole;CS-W021246;FS-1255;AC-27832;3-(N,N-dimethylaminomethyl)-6-fluoroindole;FT-0621131;EN300-141302;F-4040;A822214;Z1201618423;1-(6-fluoranyl-1H-indol-3-yl)-N,N-dimethyl-methanamine

Chemical Property of 1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine

Chemical Property:

• Vapor Pressure: 0.00133mmHg at 25°C
• Refractive Index: 1.61
• Boiling Point: 297.7 °C at 760 mmHg
• Flash Point: 133.8 °C
• PSA: 19.03000
• Density: 1.181 g/cm³
• LogP: 2.36860
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.10627659
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(6-Fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CNC2=C1C=CC(=C2)F

Technology Process of 1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine

There total 2 articles about 1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine 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%

6-fluoro-1H-indole (399-51-9) + formaldehyde diethyl acetal (462-95-3) + dimethyl amine (124-40-3) → 1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine (343-93-1)

Guidance literature:

formaldehyde diethyl acetal; With formic acid; In water; at 80 ℃; for 2h; Reflux;

6-fluoro-1H-indole; dimethyl amine; With acetic acid; In water; at 2 - 40 ℃;

With sodium hydroxide; In water; at 5 - 20 ℃; pH=> 14;

Reference yield: 85.0%

6-fluoro-1H-indole (399-51-9) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + dimethyl amine (124-40-3) → 1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine (343-93-1)

Guidance literature:

dimethyl amine; With acetic acid; In water; at 4.5 - 15 ℃; for 2.66667h; Inert atmosphere;

formaldehyd; In water; at 0 - 10 ℃; for 0.333333h; Inert atmosphere;

6-fluoro-1H-indole;

Reference yield: 90.0%

potassium cyanide + 1-(6-fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine (343-93-1) → 2-(6-fluoro-1H-indol-3-yl)acetonitrile (2341-25-5)

Guidance literature:

In water; N,N-dimethyl-formamide; at 100 - 105 ℃; for 8h;

upstream raw materials:

6-fluoro-1H-indole

formaldehyd

dimethyl amine

formaldehyde diethyl acetal

Downstream raw materials:

2-(6-fluoro-1H-indol-3-yl)acetic acid

2-(6-fluoro-1H-indol-3-yl)acetonitrile

[2-(6-fluoro-1H-indol-3-yl)ethyl]({[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl})amine HCl salt

tryptamine

Refernces

• 1、 Pillaiyar, Thanigaimalai,Gorska, Ewelina,Schnakenburg, Gregor,Müller, Christa E.. "General Synthesis of Unsymmetrical 3,3′-(Aza)diindolylmethane Derivatives". . p. 9902 - 9913. Retrieved 2018/08/01.
• 2、 Devaraj,Sollert,Juds,Gates,Pilarski. "Ru-catalysed C-H silylation of unprotected gramines, tryptamines and their congeners". supporting information. p. 5868 - 5871. Retrieved 2016/05/19.