3-Chloro-2-(3-chloro-4-methoxyphenyl)-5-methoxy-2H-indazole

Base Information

• Chemical Name: 3-Chloro-2-(3-chloro-4-methoxyphenyl)-5-methoxy-2H-indazole
• CAS No.: 848142-50-7
• Molecular Formula: C15H13ClN2O2
• Molecular Weight: 288.733
• DSSTox Substance ID: DTXSID90471523
• Wikidata: Q82300047
• Mol file: 848142-50-7.mol

Synonyms:848142-50-7;3-Chloro-2-(3-chloro-4-methoxyphenyl)-5-methoxy-2H-indazole;DTXSID90471523;3-Chloro-5-methoxy-2-(3-chloro-4-methoxyphenyl)-2Hindazole;AKOS015962729;FT-0729903

Chemical Property of 3-Chloro-2-(3-chloro-4-methoxyphenyl)-5-methoxy-2H-indazole

Chemical Property:

• Vapor Pressure: 0.000118mmHg at 25°C
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 322.0275830
• Heavy Atom Count: 21
• Complexity: 361

Purity/Quality:

≥99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(N(N=C2C=C1)C3=CC(=C(C=C3)OC)Cl)Cl

Technology Process of 3-Chloro-2-(3-chloro-4-methoxyphenyl)-5-methoxy-2H-indazole

There total 3 articles about 3-Chloro-2-(3-chloro-4-methoxyphenyl)-5-methoxy-2H-indazole 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: 35.0%

N-(2-bromo-5-methoxybenzyl)-N-(3-chloro-4-methoxyphenyl)hydrazine (848142-48-3) → 5-methoxy-2-(3-chloro-4-methoxyphenyl)-2H-indazole (848142-50-7)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; sodium t-butanolate; In toluene; at 90 ℃; for 15h;

DOI:10.1021/jm049223g

Reference yield:

2-bromo-5-methoxybenzyl bromide (19614-12-1) → 5-methoxy-2-(3-chloro-4-methoxyphenyl)-2H-indazole (848142-50-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaHMDS / tetrahydrofuran / 1.25 h / 0 - 20 °C

1.2: 48 percent / tetrahydrofuran / 1 h / 20 °C

2.1: 35 percent / Pd(OAc)2; dppf; NaOtBu / toluene / 15 h / 90 °C

With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; sodium hexamethyldisilazane; sodium t-butanolate; In tetrahydrofuran; toluene;

DOI:10.1021/jm049223g

Reference yield:

(3-chloro-4-methoxyphenyl)hydrazine hydrochloride (54812-55-4) → 5-methoxy-2-(3-chloro-4-methoxyphenyl)-2H-indazole (848142-50-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaHMDS / tetrahydrofuran / 1.25 h / 0 - 20 °C

1.2: 48 percent / tetrahydrofuran / 1 h / 20 °C

2.1: 35 percent / Pd(OAc)2; dppf; NaOtBu / toluene / 15 h / 90 °C

With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; sodium hexamethyldisilazane; sodium t-butanolate; In tetrahydrofuran; toluene;

DOI:10.1021/jm049223g

upstream raw materials:

N-(2-bromo-5-methoxybenzyl)-N-(3-chloro-4-methoxyphenyl)hydrazine

2-bromo-5-methoxybenzyl bromide

(3-chloro-4-methoxyphenyl)hydrazine hydrochloride

Downstream raw materials:

3-chloro-5-methoxy-2-(3-chloro-4-methoxyphenyl)-2H-indazole