5-Aminoindazole

Base Information

• Chemical Name: 5-Aminoindazole
• CAS No.: 19335-11-6
• Molecular Formula: C7H7N3
• Molecular Weight: 133.153
• Hs Code.: 29339900
• European Community (EC) Number: 242-971-5
• NSC Number: 44676
• UNII: A5B06TDT72
• DSSTox Substance ID: DTXSID2066480
• Nikkaji Number: J40.998G
• Wikidata: Q72482750
• ChEMBL ID: CHEMBL17551
• Mol file: 19335-11-6.mol

Synonyms:5-aminoindazole

Chemical Property of 5-Aminoindazole

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 5.92E-10mmHg at 25°C
• Melting Point: 175-178 °C
• Refractive Index: 1.806
• Boiling Point: 376.609 °C at 760 mmHg
• PKA: 14.52±0.40(Predicted)
• Flash Point: 209.521 °C
• PSA: 54.70000
• Density: 1.367 g/cm³
• LogP: 1.72630
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.063997236
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

5-Aminoindazole >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xn
• Hazard Codes: T,Xn
• Statements: 25-36/37/38
• Safety Statements: 26-36-45-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N)C=NN2

Technology Process of 5-Aminoindazole

There total 4 articles about 5-Aminoindazole 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: 100.0%

5-nitroindazole (5401-94-5) → 1H-indazol-5-ylamine (19335-11-6)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; at 25 ℃; Autoclave; Inert atmosphere;

Reference yield: 100.0%

5-nitroindazole (5401-94-5) → 5-amuio-1H-indazole + 1H-indazol-5-ylamine (19335-11-6)

Guidance literature:

carbon palladium; In methanol;

Reference yield: 62.6%

→ 1H-indazol-5-ylamine (19335-11-6)

Guidance literature:

upstream raw materials:

5-nitroindazole

2-methyl-4-nitro-benzenamine

Downstream raw materials:

(1H-Indazol-5-yl)-(1-phenethyl-piperidin-4-ylidene)-amine

C₁₅H₁₄N₄O₃S

2-(1H-indazol-5-ylamino)benzoic acid

C₂₂H₂₂N₆O₅

Refernces

• 1、 Elsayed, Nevine M.Y.,Serya, Rabah A.T.,Tolba, Mai F.,Ahmed, Marawan,Barakat, Khaled,Abou El Ella, Dalal A.,Abouzid, Khaled A.M.. "Design, synthesis, biological evaluation and dynamics simulation of indazole derivatives with antiangiogenic and antiproliferative anticancer activity". . p. 340 - 359. Retrieved 2019.
• 2、 -. "PYRROLIDINYL-BASED COMPOUNDS". Paragraph 0137. . Retrieved 2021/04/10.
• 3、 -. "2-pyridine substituted urea structural small molecule compounds as well as synthesis and application thereof". Paragraph 0197; 0298-0300. . Retrieved 2020/03/03.