5-chloro-2,3-dimethyl-1H-indole

Base Information

• Chemical Name: 5-chloro-2,3-dimethyl-1H-indole
• CAS No.: 21296-93-5
• Molecular Formula: C10H10ClN
• Molecular Weight: 179.649
• DSSTox Substance ID: DTXSID30378249
• Nikkaji Number: J36.866K
• Wikidata: Q72518707
• Mol file: 21296-93-5.mol

Synonyms:5-chloro-2,3-dimethyl-1H-indole;21296-93-5;1H-Indole, 5-chloro-2,3-dimethyl-;AN-023/13177030;SCHEMBL9843379;DTXSID30378249;2,3-Dimethyl-5-chloro-1H-indole;BCP05447;WAA29693;MFCD00053084;STK978797;AKOS000275058;NCGC00320870-01;AC-26895;AS-61272;CS-0153592;AB01315949-02

Chemical Property of 5-chloro-2,3-dimethyl-1H-indole

Chemical Property:

• Melting Point: 138-140℃
• Boiling Point: 319.1±37.0 °C(Predicted)
• PKA: 16.96±0.30(Predicted)
• PSA: 15.79000
• Density: 1.227
• LogP: 3.43810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 179.0501770
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-2,3-dimethyl-1H-indole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC2=C1C=C(C=C2)Cl)C

Technology Process of 5-chloro-2,3-dimethyl-1H-indole

There total 11 articles about 5-chloro-2,3-dimethyl-1H-indole 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: 98.0%

5-chloro-2-methylindole (1075-35-0) + C17H19NO2 → 2,3-dimethyl-5-chloroindole (21296-93-5)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; In 1,2-dichloro-ethane; at 110 ℃; for 16h;

DOI:10.1021/acscatal.0c01141

Reference yield: 89.0%

4-chloro-aniline (106-47-8) + 2.3-butanediol (513-85-9) → 2,3-dimethyl-5-chloroindole (21296-93-5)

Guidance literature:

tris(triphenylphosphine)ruthenium(II) chloride; In 1,4-dioxane; at 180 ℃; for 20h;

DOI:10.1021/jo00385a006

Reference yield: 88.0%

4-chlorophenylhydrazine hydrochloride (1073-70-7) + butanone (78-93-3) → 2,3-dimethyl-5-chloroindole (21296-93-5)

Guidance literature:

With choline chloride; zinc(II) chloride; at 120 ℃; for 2h;

upstream raw materials:

Butyraldehyd-(p-chlor-phenylhydrazon)

4-chloro-aniline

2.3-butanediol

but-3-yn-2-ol

Downstream raw materials:

(5-chloro-2,3-dimethyl-1H-indol-1-yl)(2-iodophenyl)methanone