5-Methoxy-1H-indazole

Base Information

• Chemical Name: 5-Methoxy-1H-indazole
• CAS No.: 94444-96-9
• Molecular Formula: C8H8N2O
• Molecular Weight: 148.164
• Hs Code.: 29339900
• European Community (EC) Number: 806-832-8
• ChEMBL ID: CHEMBL15739
• DSSTox Substance ID: DTXSID20537722
• Nikkaji Number: J1.536.250B
• Wikidata: Q72490010
• Mol file: 94444-96-9.mol

Synonyms:5-Methoxy-1H-indazole;94444-96-9;5-Methoxyindazole;1H-Indazole, 5-methoxy-;5-methoxy-1~{H}-indazole;CHEMBL15739;MFCD07781657;5-methoxy-indazole;SCHEMBL1141784;SCHEMBL18003378;DTXSID20537722;GZWWDKIVVTXLFL-UHFFFAOYSA-N;BCP27396;CS-D0861;BDBM50099402;AKOS005146475;PB32539;SS-6019;AC-29479;BL004020;SY020404;AM20120491;A15924;J-517661;SVT

Chemical Property of 5-Methoxy-1H-indazole

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.647
• Boiling Point: 312.497 °C at 760 mmHg
• Flash Point: 114.568 °C
• PSA: 37.91000
• Density: 1.244 g/cm³
• LogP: 1.57150
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 148.063662883
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Methoxy-1H-indazole ^*data from reagent suppliers

Safty Information:

• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)NN=C2

Technology Process of 5-Methoxy-1H-indazole

There total 1 articles about 5-Methoxy-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:

4-methoxy-2-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)-aniline (28200-70-6) → N-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline (494-55-3) + 5-methoxy-1H-indazole (94444-96-9) + 10-methoxy-7-methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinoline (28360-52-3)

Guidance literature:

Erwaermen der Reaktionsloesung bis auf 90grad und anschliessenden Erwaermen mit Zink-Pulver und konz. wss. HCl;

DOI:10.1021/ja01235a021

Reference yield: 100.0%

5-methoxy-1H-indazole (94444-96-9) → 3-iodo-5-methoxy-1H-indazole (290367-99-6)

Guidance literature:

With potassium hydroxide; iodine; In 1,4-dioxane; at 0 - 20 ℃; for 3h;

DOI:10.1055/s-2006-950242

Reference yield: 96.0%

trimethoxonium tetrafluoroborate (420-37-1) + 5-methoxy-1H-indazole (94444-96-9) → 5-methoxy-2-methyl-2H-indazole (541539-88-2)

Guidance literature:

In ethyl acetate; at 20 ℃; for 5h;

DOI:10.1021/jo0265434

upstream raw materials:

4-methoxy-2-(6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)-aniline

Downstream raw materials:

5-methoxy-1H-indazole-3-carboxylic acid

1-amino-5-methoxy-1H-indazole

3-iodo-5-methoxy-1H-indazole

5-methoxy-2-methyl-2H-indazole