4-(4-Methoxy-2-methylphenyl)-5-methylpyrazolidin-3-amine

Base Information

• Chemical Name: 4-(4-Methoxy-2-methylphenyl)-5-methylpyrazolidin-3-amine
• CAS No.: 262298-03-3
• Molecular Formula: C12H15 N3 O
• Molecular Weight: 217.271
• DSSTox Substance ID: DTXSID80695736
• Mol file: 262298-03-3.mol

Synonyms:DTXSID80695736;4-(4-methoxy-2-methylphenyl)-5-methylpyrazolidin-3-amine

Chemical Property of 4-(4-Methoxy-2-methylphenyl)-5-methylpyrazolidin-3-amine

Chemical Property:

• Boiling Point: 395.1±42.0 °C(Predicted)
• PKA: 16.30±0.50(Predicted)
• PSA: 63.93000
• Density: 1.173±0.06 g/cm3(Predicted)
• LogP: 2.86550
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 221.152812238
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

4-(4-METHOXY-2-METHYLPHENYL)-5-METHYL-1H-PYRAZOL-3-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(NN1)N)C2=C(C=C(C=C2)OC)C

Technology Process of 4-(4-Methoxy-2-methylphenyl)-5-methylpyrazolidin-3-amine

There total 4 articles about 4-(4-Methoxy-2-methylphenyl)-5-methylpyrazolidin-3-amine 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%

1-cyano-1-(2-methyl-4-methoxyphenyl)propan-2-one (246023-58-5) → 4-(2-methyl-4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine (262298-03-3)

Guidance literature:

1-cyano-1-(2-methyl-4-methoxyphenyl)propan-2-one; With hydrazine hydrate; acetic acid; In toluene; at 20 ℃; for 3h; Reflux;

With ammonium hydroxide; In water; pH=11;

DOI:10.1016/j.bmc.2011.07.055

Reference yield:

C12H13NO2 → 4-(2-methyl-4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine (262298-03-3)

Guidance literature:

With hydrazine monohydrobromide; In ethanol; water; for 2.5 - 3h; Product distribution / selectivity; Heating / reflux;

Reference yield:

2-(4-methoxy-2-methylphenyl)acetonitrile (262298-02-2) → 4-(2-methyl-4-methoxyphenyl)-3-methyl-1H-pyrazol-5-amine (262298-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / sodium / 16 h / Heating

2: 66 percent / hydrazine monohydrate; acetic acid / toluene / 5 h / Heating

With sodium; hydrazine hydrate; acetic acid; In toluene; 1: Condensation / 2: Cyclization;

DOI:10.1016/S0968-0896(99)00271-0

upstream raw materials:

1-cyano-1-(2-methyl-4-methoxyphenyl)propan-2-one

1-(bromomethyl)-4-methoxy-2-methylbenzene

2-(4-methoxy-2-methylphenyl)acetonitrile

Downstream raw materials:

2,5-dimethyl-3-(2-methyl-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

7-chloro-2,5-dimethyl-3-(2-methyl-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

DMP 904

C₁₆H₁₇N₃O₂