6-METHYL-3-INDAZOLECARBOXYLIC ACID METHYL ESTER

Base Information

• Chemical Name: 6-METHYL-3-INDAZOLECARBOXYLIC ACID METHYL ESTER
• CAS No.: 858227-11-9
• Molecular Formula: C10H10N2O2
• Molecular Weight: 190.19900
• Hs Code.: 2933990090
• Mol file: 858227-11-9.mol

Synonyms:6-Methyl-3-indazolecarboxylic acid methyl ester;6-methyl-1(2)H-indazole-3-carboxylic acid methyl ester;6-Methyl-1(2)H-indazol-3-carbonsaeure-methylester;

Chemical Property of 6-METHYL-3-INDAZOLECARBOXYLIC ACID METHYL ESTER

Chemical Property:

• Melting Point: 150-151 °C(Solv: water (7732-18-5); methanol (67-56-1))
• Boiling Point: 358.6±22.0 °C(Predicted)
• PKA: 12.40±0.40(Predicted)
• PSA: 54.98000
• Density: 1.274±0.06 g/cm3(Predicted)
• LogP: 1.65790
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98% ^*data from raw suppliers

Methyl6-methyl-1H-indazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 6-METHYL-3-INDAZOLECARBOXYLIC ACID METHYL ESTER

There total 6 articles about 6-METHYL-3-INDAZOLECARBOXYLIC ACID METHYL ESTER 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: 83.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + 3-iodo-6-methyl-1H-indazole (885518-96-7) → methyl 6-methyl-1H-indazole-3-carboxylate (858227-11-9)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; triethylamine; In toluene; at 70 ℃; under 750.075 Torr; Autoclave;

DOI:10.1055/s-0030-1260199

Reference yield:

(2-amino-4-methyl-phenyl)-acetonitrile (861068-42-0) → methyl 6-methyl-1H-indazole-3-carboxylate (858227-11-9)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous HCl; NaNO₂

2: aq. NaOH solution

3: concentrated H₂SO₄

With hydrogenchloride; sodium hydroxide; sulfuric acid; sodium nitrite;

DOI:10.1021/ja01634a030

Reference yield:

(4-methyl-2-nitro-phenyl)-acetonitrile (855938-47-5) → methyl 6-methyl-1H-indazole-3-carboxylate (858227-11-9)

Guidance literature:

Multi-step reaction with 4 steps

1: palladium/charcoal; ethanol / Hydrogenation

2: aqueous HCl; NaNO₂

3: aq. NaOH solution

4: concentrated H₂SO₄

With hydrogenchloride; sodium hydroxide; palladium on activated charcoal; ethanol; sulfuric acid; sodium nitrite;

DOI:10.1021/ja01634a030

upstream raw materials:

methanol

6-methyl-1H-indazole-3-carboxylic acid

(2-amino-4-methyl-phenyl)-acetonitrile

(4-methyl-2-nitro-phenyl)-acetonitrile

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