6-Chlorogramine

Base Information

• Chemical Name: 6-Chlorogramine
• CAS No.: 50517-12-9
• Molecular Formula: C₁₁H₁₃ClN₂
• Molecular Weight: 208.691
• Hs Code.: 2933990090
• NSC Number: 58080
• DSSTox Substance ID: DTXSID10288913
• Nikkaji Number: J2.419.118D
• Wikidata: Q82026055
• Mol file: 50517-12-9.mol

Synonyms:6-Chlorogramine;50517-12-9;1-(6-chloro-1h-indol-3-yl)-n,n-dimethylmethanamine;5017-12-9;6-chloro-gramine;NSC58080;SCHEMBL3018247;DTXSID10288913;6-chloro-3-dimethylaminomethylindole;MFCD01074498;NSC 58080;NSC-58080;2-AMINO-3-ETHYL-PENTANOICACID;AKOS005259138;AC-27827;3-(Dimethylaminomethyl)-6-chloro-1H-indole;FT-0621067;FT-0621068;[(6-chloro-1H-indol-3-yl)methyl]dimethylamine;C-4100

Chemical Property of 6-Chlorogramine

Chemical Property:

• Vapor Pressure: 0.000202mmHg at 25°C
• Boiling Point: 327.4°C at 760 mmHg
• Flash Point: 151.8°C
• PSA: 19.03000
• Density: 1.224g/cm³
• LogP: 2.88290
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.0767261
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

1-(6-Chloro-1H-indol-3-yl)-N,N-dimethylmethanamine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 6-Chlorogramine

There total 4 articles about 6-Chlorogramine 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-chloroindole (17422-33-2) → 1-(6-chloro-1H-indol-3-yl)-N,N-dimethylmethanamine (50517-12-9)

Guidance literature:

With formaldehyd; dimethyl amine; In acetic acid;

Reference yield: 49.0%

6-chloroindole (17422-33-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + N,N-dimethylammonium chloride (506-59-2) → 1-(6-chloro-1H-indol-3-yl)-N,N-dimethylmethanamine (50517-12-9)

Guidance literature:

With acetic acid; triethylamine; In 1,4-dioxane; water; at 40 ℃; for 19.5h;

DOI:10.1021/acs.joc.9b00039

Reference yield: 48.0%

6-chloroindole (17422-33-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + dimethyl amine (124-40-3) → 1-(6-chloro-1H-indol-3-yl)-N,N-dimethylmethanamine (50517-12-9)

Guidance literature:

formaldehyd; dimethyl amine; With acetic acid; In water; at 0 ℃; for 0.5h;

6-chloroindole; In water; at 0 - 20 ℃; for 16.25h;

upstream raw materials:

6-chloroindole

formaldehyd

dimethyl amine

N,N-dimethylammonium chloride

Downstream raw materials:

2-(6-chloro-1H-indole-3-yl)ethan-1-amine

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

acetylamino-(6-chloro-indol-3-ylmethyl)-malonic acid diethyl ester

6-chloro-1H-indole-3-carbaldehyde