3-IODO-5-METHYL (1H)INDAZOLE

Base Information

• Chemical Name: 3-IODO-5-METHYL (1H)INDAZOLE
• CAS No.: 885518-92-3
• Molecular Formula: C₈H₇IN₂
• Molecular Weight: 258.061
• Hs Code.: 2933998090
• Mol file: 885518-92-3.mol

Synonyms:3-IODO-5-METHYL (1H)INDAZOLE;3-iodo-5-methyl-1H-indazole(SALTDATA: FREE)

Chemical Property of 3-IODO-5-METHYL (1H)INDAZOLE

Chemical Property:

• Vapor Pressure: 2.66E-05mmHg at 25°C
• Refractive Index: 1.749
• Boiling Point: 368.6 °C at 760 mmHg
• Flash Point: 176.7 °C
• PSA: 28.68000
• Density: 1.933g/cm³
• LogP: 2.47590

Purity/Quality:

98%min ^*data from raw suppliers

3-iodo-5-methyl-1H-indazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-IODO-5-METHYL (1H)INDAZOLE

There total 2 articles about 3-IODO-5-METHYL (1H)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: 93.0%

5-methyl-1H-indazole (1776-37-0) → 3-iodo-5-methyl-1H-indazole (885518-92-3)

Guidance literature:

With iodine; potassium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.3390/molecules23082051

Reference yield: 92.0%

→ 3-iodo-5-methyl-1H-indazole (885518-92-3)

Guidance literature:

With iodine; sodium hydroxide; In methanol; at 20 ℃; for 48h;

Reference yield:

3-iodo-5-methyl-1H-indazole (885518-92-3) → 4-(5-methyl-2H-indazol-3-yl)benzoic acid

Guidance literature:

Multi-step reaction with 3 steps

1: dmap; N-ethyl-N,N-diisopropylamine / acetonitrile / 16 h / 20 °C

2: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium phosphate / 1,4-dioxane; water / 1 h / 90 °C / Inert atmosphere; Microwave irradiation

3: trifluoroacetic acid / 16 h / 20 °C

With dmap; potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In 1,4-dioxane; water; acetonitrile; 2: |Suzuki Coupling;

DOI:10.1002/cmdc.201900019

upstream raw materials:

5-methyl-1H-indazole

Downstream raw materials:

3-phenyl-5-methyl-1H-indazole

Refernces

• 1、 Vera, Gonzalo,Diethelm, Benjamín,Terraza, Claudio A.,Recabarren-Gajardo, Gonzalo. "Suzuki-type cross-coupling reaction of unprotected 3-iodoindazoles with pinacol vinyl boronate: An expeditive C-3 vinylation of indazoles under microwave irradiation". . . Retrieved 2018/09/26.
• 2、 -. "NEW CRTh2 ANTAGONISTS". Page/Page column 81-82. . Retrieved 2013/03/26.