3-Methyl-3-pyrazolin-5-one

Base Information

• Chemical Name: 3-Methyl-3-pyrazolin-5-one
• CAS No.: 4344-87-0
• Molecular Formula: C4H6N2O
• Molecular Weight: 98.1044
• Hs Code.: 2933199090
• Mol file: 4344-87-0.mol

Synonyms:3-Pyrazolin-5-one,3-methyl- (7CI,8CI);3-Pyrazolol, 5-methyl- (6CI);3-Hydroxy-5-methyl-1H-pyrazole;3-Hydroxy-5-methylpyrazole;3-Methyl-1H-pyrazol-5-ol;3H-Pyrazol-3-one,1,2-dihydro-5-methyl-;3-Methyl-5-hydroxypyrazole;5-Methyl-1H-pyrazol-3-ol;5-Methyl-1,2-dihydro-3H-pyrazol-3-one;5-Methylpyrazol-3-ol;5-Methylpyrazol-3-one;NSC265335;

Chemical Property of 3-Methyl-3-pyrazolin-5-one

Chemical Property:

• Appearance/Colour: Light yellow crystalline powder
• Melting Point: 223-225 °C(lit.)
• Boiling Point: 309.7 °C at 760 mmHg
• PKA: 9.04±0.70(Predicted)
• Flash Point: 141.1 °C
• PSA: 48.65000
• Density: 1.108 g/cm³
• LogP: 0.01140
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: 1 M NH4OH: soluble25mg/mL, clear, colorless (in methanol)

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-5-hydroxypyrazole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Methyl-3-pyrazolin-5-one was used in the preparation of substituted 4-alkyl(cycloalkyl)-2-amino-3-cyano-4H-pyrans.

Technology Process of 3-Methyl-3-pyrazolin-5-one

There total 18 articles about 3-Methyl-3-pyrazolin-5-one 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%

ethyl acetoacetate (141-97-9) → 5-hydroxy-3-methylpyrazole (132712-71-1,4344-87-0,145091-87-8)

Guidance literature:

With hydrazine hydrate; In methanol; for 4h; Reflux;

Reference yield: 94.0%

acetoacetic acid methyl ester (105-45-3) → 5-hydroxy-3-methylpyrazole (132712-71-1,4344-87-0,145091-87-8)

Guidance literature:

With cellulose sulfuric acid; hydrazine; In water; at 20 ℃; for 0.1h; regioselective reaction; Green chemistry;

DOI:10.1039/c4ra11440j

Reference yield: 55.0%

ethyl 4-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one-5-carboxylate (161374-07-8) → p-anisaldehyde hydrazone (5953-85-5,214466-47-4) + thiourea (17356-08-0) + urea (57-13-6) + 5-hydroxy-3-methylpyrazole (132712-71-1,4344-87-0,145091-87-8)

Guidance literature:

With hydrazine hydrate; In neat (no solvent); for 6h; Reflux;

DOI:10.1155/2018/6354742

upstream raw materials:

S-ethyl acetothioacetate

1-amino-6-hydroxy-6-methyl-5,6-dihydrouracil

methyl-4 dihydro-3,7 pyrazolo<1,5,4-ef>benzodiazepine-1,5 one-6

Riodipine

Downstream raw materials:

4-(4-(diethylamino)benzylidene)-3-methyl-1H-pyrazol-5(4H)-one

4,4'-((4-(diethylamino)phenyl)methylene)bis(5-methyl-1H-pyrazol-3(2H)-one)

1-benzyl-5-methyl-1,2-dihydro-3H-pyrazol-3-one

3-(benzyloxy)-5-methyl-1H-pyrazole

Refernces

• 1、 Bisenieks,Uldrikis,Duburs. "Reaction of 3,5-carbonyl-substituted 1,4-dihydropyridines with hydrazine hydrate". . p. 869 - 875. Retrieved 2004.
• 2、 Hassani, H.,Jahani, Z.. "Synthesis of 1,3,5-Trisubstituted Pyrazoles and Hydrazones Using Fe3O4?CeO2 Nanocomposite as an Efficient Heterogeneous Nanocatalyst". . p. 485 - 490. Retrieved 2020/04/27.