4,5-Dimethylisatin

Base Information

Chemical Name:4,5-Dimethylisatin
CAS No.:100487-79-4
Molecular Formula:C10H9 N O2
Molecular Weight:175.187
Hs Code.:
NSC Number:104997
DSSTox Substance ID:DTXSID70295729
Wikidata:Q82035836
Metabolomics Workbench ID:144464
Mol file:100487-79-4.mol

Synonyms:4,5-Dimethylisatin;100487-79-4;4,5-dimethyl-1H-indole-2,3-dione;MLS002703811;NSC104997;NCIOpen2_002151;SCHEMBL3743988;DTXSID70295729;UZQSNRWCIFIUSJ-UHFFFAOYSA-N;NSC-104997;SMR001570525;FT-0734464

Suppliers and Price of 4,5-Dimethylisatin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 10 raw suppliers

Chemical Property of 4,5-Dimethylisatin

Chemical Property:

PSA：46.17000
LogP:1.57620
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:175.063328530
Heavy Atom Count:13
Complexity:262

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=C(C=C1)NC(=O)C2=O)C

Technology Process of 4,5-Dimethylisatin

There total 2 articles about 4,5-Dimethylisatin 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: 34.0%

: 302-17-0
chloral hydrate

: 95-64-7
4-amino-o-xylene

: 100487-79-4
4,5-dimethylisatin

: 73816-46-3
5,6-Dimethylisatin

Guidance literature:: With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate;
DOI:10.1021/jm049147h

Reference yield:

: 95-64-7
4-amino-o-xylene

: 100487-79-4
4,5-dimethylisatin

Guidance literature:: Multi-step reaction with 2 steps

1: Na₂SO₄; aqueous HCl; NH₂OH+HCl

2: sulfuric acid

With hydrogenchloride; sulfuric acid; hydroxylamine; sodium sulfate;
DOI:10.1021/jo01135a015

Reference yield: 38.0%

: 100487-79-4
4,5-dimethylisatin

: 5628-48-8
4,5-dimethylanthranilic acid

Guidance literature:: 4,5-dimethylisatin; With sodium hydroxide; dihydrogen peroxide; In water; at 85 ℃; for 2h;

With sulfuric acid; at 20 ℃; pH=1;