7-Methyl-1H-indazole-5-carbaldehyde

Base Information

• Chemical Name: 7-Methyl-1H-indazole-5-carbaldehyde
• CAS No.: 635712-40-2
• Molecular Formula: C9H8N2O
• Molecular Weight: 160.175
• DSSTox Substance ID: DTXSID40593986
• Mol file: 635712-40-2.mol

Synonyms:7-METHYL-1H-INDAZOLE-5-CARBALDEHYDE;635712-40-2;7-methylindazole 5-aldehyde;1H-Indazole-5-carboxaldehyde, 7-methyl- (9CI);SCHEMBL2977113;7-methylindazole-5-carboxaldehyde;AMY7460;DTXSID40593986;GJZLKBBRMQSNKG-UHFFFAOYSA-N;MB14897;CS-0340681;7-METHYL-1H-INDAZOLE-5-CARBOXALDEHYDE

Chemical Property of 7-Methyl-1H-indazole-5-carbaldehyde

Chemical Property:

• Boiling Point: 364.9±22.0 °C(Predicted)
• PKA: 13.26±0.40(Predicted)
• PSA: 45.75000
• Density: 1.301±0.06 g/cm3(Predicted)
• LogP: 1.68380
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

7-Methyl-1H-indazole-5-carbaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1NN=C2)C=O

Technology Process of 7-Methyl-1H-indazole-5-carbaldehyde

There total 6 articles about 7-Methyl-1H-indazole-5-carbaldehyde 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: 90.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 5-bromo-7-methyl-1H-indazole (156454-43-2) → 7-methyl-1H-indazole-5-carbaldehyde (635712-40-2)

Guidance literature:

5-bromo-7-methyl-1H-indazole; With n-butyllithium; In tetrahydrofuran; hexane; cyclohexane; at -60 ℃; for 0.333333h; Large scale;

N,N-dimethyl-formamide; at -50 - 5 ℃; for 2.25h; Large scale;

DOI:10.1021/op3003097

Reference yield: 69.0%

→ 7-methyl-1H-indazole-5-carbaldehyde (635712-40-2)

Guidance literature:

Reference yield: 67.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) → 7-methyl-1H-indazole-5-carbaldehyde (635712-40-2)

Guidance literature:

5-bromo-7-methyl-1H-indazole; With sodium hydride; In tetrahydrofuran; at 35 ℃; for 0.25h;

With sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -78 ℃; for 1.5h;

N,N-dimethyl-formamide; With hydrogenchloride; sodium hydrogencarbonate; more than 3 stages;

upstream raw materials:

N,N-dimethyl-formamide

5-bromo-7-methyl-1H-indazole

4-bromo-2,6-dimethylphenylamine

C₁₂H₁₇BrN₂

Downstream raw materials:

C₂₈H₃₁N₅O₄

C₂₇H₂₉N₅O₄

C₃₇H₄₇N₇O₃

C₂₇H₃₅N₃O₄Si