1-Carbamoyl-3-methylpyrazole

Base Information

• Chemical Name: 1-Carbamoyl-3-methylpyrazole
• CAS No.: 873-50-7
• Molecular Formula: C5H7 N3 O
• Molecular Weight: 125.13
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID301033910
• Mol file: 873-50-7.mol

Synonyms:1-carbamoyl-3-methylpyrazole

Chemical Property of 1-Carbamoyl-3-methylpyrazole

Chemical Property:

• Appearance/Colour: white fine crystalline powder or crystals
• Vapor Pressure: 0.00295mmHg at 25°C
• Melting Point: 98-102 °C(lit.)
• Refractive Index: 1.6190 (estimate)
• Boiling Point: 284.6°C at 760 mmHg
• PKA: 13.66±0.50(Predicted)
• Flash Point: 125.9°C
• PSA: 60.91000
• Density: 1.34g/cm³
• LogP: 0.81860
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.058911855
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

3-Methylpyrazole-1-carboxamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C=C1)NC=O

Technology Process of 1-Carbamoyl-3-methylpyrazole

There total 9 articles about 1-Carbamoyl-3-methylpyrazole 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: 95.0%

3-Methylpyrazole (1453-58-3) + sodium isocyanate (917-61-3) → 3-Methyl-pyrazol-1-carbonsaeureamid (873-50-7)

Guidance literature:

With sulfuric acid;

Reference yield:

→ 3-Methyl-pyrazol-1-carbonsaeureamid (873-50-7)

Guidance literature:

With benzene;

Reference yield:

→ 3-Methyl-pyrazol-1-carbonsaeureamid (873-50-7)

Guidance literature:

With ethanol; sulfuric acid;

upstream raw materials:

3-methyl-pyrazole-1-carbonyl chloride

5-Methyl-pyrazol-1-carbonsaeureamid

acetoacetaldehyde-disemicarbazone

acetylacetaldehyde dimethyl acetal

Downstream raw materials:

3-Methylpyrazole

carbamic Acid

Refernces

• 1、 Hennings, Peter,Kaestner, Gerd,Klepel, Manfred,Jumar, Alfred. "Zur Isomerie der 3(5)-Methyl-pyrazol-1-carbonsaeureamide". . p. 435 - 436. Retrieved 2007/10/02.