6-Chloro-2-methyl-1h-indole

Base Information

• Chemical Name: 6-Chloro-2-methyl-1h-indole
• CAS No.: 6127-17-9
• Molecular Formula: C9H8ClN
• Molecular Weight: 165.622
• Hs Code.: 2933990090
• European Community (EC) Number: 674-713-6
• NSC Number: 115144
• DSSTox Substance ID: DTXSID80297299
• Nikkaji Number: J1.548.075K
• Wikidata: Q82038325
• Mol file: 6127-17-9.mol

Synonyms:6-chloro-2-methyl-1h-indole;6127-17-9;6-CHLORO-2-METHYLINDOLE;NSC115144;SCHEMBL614723;AMY9858;DTXSID80297299;NNJZGKJLPCDYQB-UHFFFAOYSA-N;MFCD09027716;AKOS006346731;CS-W023086;FS-2108;NSC-115144;SB15186;BB 0259844;FT-0678153;A868768;J-518528

Chemical Property of 6-Chloro-2-methyl-1h-indole

Chemical Property:

• Vapor Pressure: 0.00175mmHg at 25°C
• Melting Point: 75-77°C
• Refractive Index: 1.663
• Boiling Point: 302.7 °C at 760 mmHg
• PKA: 16.67±0.30(Predicted)
• Flash Point: 165.3 °C
• PSA: 15.79000
• Density: 1.273 g/cm³
• LogP: 3.12970
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 165.0345270
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

6-Chloro-2-methyl-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(N1)C=C(C=C2)Cl

Technology Process of 6-Chloro-2-methyl-1h-indole

There total 12 articles about 6-Chloro-2-methyl-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: 77.0%

tert-butyl(5-chloro-2-(2-oxopropyl)phenyl)carbamate (163688-23-1) → 6-chloro-2-methyl-1H-indole (6127-17-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

Reference yield: 59.0%

→ 6-chloro-2-methyl-1H-indole (6127-17-9)

Guidance literature:

Reference yield: 31.0%

3-nitro-4-chloro-phenethylbenzene (64501-63-9) → 6-chloro-2-methyl-1H-indole (6127-17-9)

Guidance literature:

With Wilkinson's catalyst; caesium carbonate; In N,N-dimethyl-formamide; at 140 ℃; for 24h; Schlenk technique; Inert atmosphere;

upstream raw materials:

Aceton-(m-chlor-phenylhydrazon)

m-chlorophenylhydrazine hydrochloride

(6-chloro-1H-indol-2-yl)methanol

tert-butyl(5-chloro-2-(2-oxopropyl)phenyl)carbamate

Downstream raw materials:

methyl 4-[[2-(6-chloro-2-methyl-1H-indol-3-yl)ethyl]sulfonyl]benzoate

2-[6-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]ethanol

methyl 4-[2-[6-chloro-1-(diphenylmethyl)-2-methyl-1H-indol-3-yl]ethoxy]benzoate

methyl 4-[[2-[6-chloro-(1-diphenylmethyl)-2-methyl-1H-indol-3-yl]ethyl]sulfonyl]benzoate

Refernces

• 1、 -. "FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES". Paragraph 0892-0894. . Retrieved 2018/11/21.
• 2、 Ferretti, Francesco,El-Atawy, Mohamed A.,Muto, Stefania,Hagar, Mohamed,Gallo, Emma,Ragaini, Fabio. "Synthesis of Indoles by Palladium-Catalyzed Reductive Cyclization of β-Nitrostyrenes with Carbon Monoxide as the Reductant". supporting information. p. 5712 - 5715. Retrieved 2015/09/15.