1-[(dimethylamino)methyl]-1H-indole-2,3-dione

Base Information

• Chemical Name: 1-[(dimethylamino)methyl]-1H-indole-2,3-dione
• CAS No.: 13129-67-4
• Molecular Formula: C₁₁H₁₂N₂O₂
• Molecular Weight: 204.228
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80364879
• Nikkaji Number: J307.517F
• Wikidata: Q82149068
• ChEMBL ID: CHEMBL594834
• Mol file: 13129-67-4.mol

Synonyms:13129-67-4;1-[(dimethylamino)methyl]-1H-indole-2,3-dione;1-Dimethylaminomethyl-1H-indole-2,3-dione;1-((Dimethylamino)methyl)indoline-2,3-dione;1-[(dimethylamino)methyl]indole-2,3-dione;1-[(dimethylamino)methyl]-2,3-dihydro-1H-indole-2,3-dione;CBDivE_002836;EC-000.1689;N-(dimethylaminomethyl) isatin;CHEMBL594834;SCHEMBL4624937;DTXSID80364879;MFCD00455593;AKOS001482883;SB64831;LS-05312;CS-0324564;FT-0684092;1-(Dimethylaminomethyl)-1H-indole-2,3-dione

Chemical Property of 1-[(dimethylamino)methyl]-1H-indole-2,3-dione

Chemical Property:

• Vapor Pressure: 0.000215mmHg at 25°C
• Refractive Index: 1.59
• Boiling Point: 326.5°Cat760mmHg
• Flash Point: 143.8°C
• PSA: 40.62000
• Density: 1.245g/cm³
• LogP: 0.80000
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.089877630
• Heavy Atom Count: 15
• Complexity: 288

Purity/Quality:

98%min ^*data from raw suppliers

1-[(Dimethylamino)methyl]-1H-indole-2,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CN1C2=CC=CC=C2C(=O)C1=O

Technology Process of 1-[(dimethylamino)methyl]-1H-indole-2,3-dione

There total 2 articles about 1-[(dimethylamino)methyl]-1H-indole-2,3-dione 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: 80.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + dimethyl amine (124-40-3) → 1-(dimethylaminomethyl)isatin (13129-67-4)

Guidance literature:

In ethanol; water; at 20 ℃; for 3h;

DOI:10.1016/j.bmc.2009.08.068

Reference yield:

→ 1-(dimethylaminomethyl)isatin (13129-67-4)

Guidance literature:

Isatin in A., 37percent-ig. Formalin, Dimethylamin, 20grad, 1 h;

Reference yield: 92.0%

4-amino-1,2,4-triazole (584-13-4) + 1-(dimethylaminomethyl)isatin (13129-67-4) + chloroacetyl chloride (79-04-9) → C15H15ClN6O2 (1454316-71-2)

Guidance literature:

4-amino-1,2,4-triazole; 1-dimethylaminomethyl-1H-indole-2,3-dione; With 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; at 60 - 70 ℃; for 0.25h; Inert atmosphere; Molecular sieve; Green chemistry;

chloroacetyl chloride; With triethylamine; at 20 - 60 ℃; for 2h; Inert atmosphere; Green chemistry;

DOI:10.1002/jhet.1071

upstream raw materials:

formaldehyd

indole-2,3-dione

dimethyl amine

Downstream raw materials:

C₁₅H₁₅ClN₆O₂

C₁₃H₁₄N₆O

Refernces