methyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate

Base Information

• Chemical Name: methyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
• CAS No.: 32286-98-9
• Molecular Formula: C₉H₁₂N₂O₂
• Molecular Weight: 180.206
• European Community (EC) Number: 851-017-2
• Nikkaji Number: J3.191.862F
• Mol file: 32286-98-9.mol

Synonyms:methyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate;32286-98-9;methyl 4,5,6,7-tetrahydro-2H-indazole-3-carboxylate;SCHEMBL1007395;FCGHXNFPSZTBIQ-UHFFFAOYSA-N;MFCD16620163;AKOS016382712;AKOS024015645;CS-0308459;EN300-120617;F2198-6435;VSL

Chemical Property of methyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate

Chemical Property:

• Boiling Point: 398.3±42.0 °C(Predicted)
• PKA: 12.36±0.20(Predicted)
• Density: 1.236±0.06 g/cm3(Predicted)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.089877630
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

methyl4,5,6,7-tetrahydro-2H-indazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=NNC2=C1CCCC2

Technology Process of methyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate

There total 5 articles about methyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate 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: 88.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + methyl diazoacetate (6832-16-2) → methyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate (32286-98-9)

Guidance literature:

With pyrrolidine; In dimethyl sulfoxide; at 20 ℃; for 12h; regioselective reaction;

DOI:10.1002/chem.201300047

Reference yield: 85.0%

methyl 8-diazo-8-(diethoxyphosphoryl)oct-2-ynoate + methyl 1-(diethoxyphosphoryl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate → methyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate (32286-98-9)

Guidance literature:

methyl 8-diazo-8-(diethoxyphosphoryl)oct-2-ynoate; methyl 1-(diethoxyphosphoryl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate; In toluene; for 0.5h; Reflux;

With water; sodium hydroxide; In ethanol; at 20 ℃; for 1h;

DOI:10.1002/chem.202101788

Reference yield: 46.0%

1-(1-Cyclohexen-1-yl)pyrrolidine (1125-99-1) + methyl diazoacetate (6832-16-2) → methyl 4,5,6,7-tetrahydro-1H-indazole-3-carboxylate (32286-98-9)

Guidance literature:

In chloroform; at 20 ℃; for 216h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.202117047

upstream raw materials:

cyclohexanone

methyl diazoacetate

1-(1-Cyclohexen-1-yl)pyrrolidine

Downstream raw materials:

Methyl 1-[4-(pyrrolidin-1-ylcarbonyl)benzyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate

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