1-Methyl-1H-pyrazol-3-amine

Base Information

• Chemical Name: 1-Methyl-1H-pyrazol-3-amine
• CAS No.: 1904-31-0
• Molecular Formula: C4H7N3
• Molecular Weight: 97.1197
• Hs Code.: 29331990
• European Community (EC) Number: 639-326-9
• DSSTox Substance ID: DTXSID30172522
• Nikkaji Number: J271.170B
• Wikidata: Q72496275
• ChEMBL ID: CHEMBL3219111
• Mol file: 1904-31-0.mol

Synonyms:1-methyl-1H-pyrazol-3-amine;

Chemical Property of 1-Methyl-1H-pyrazol-3-amine

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Refractive Index: 1.5420-1.5460
• Boiling Point: 231.414 °C at 760 mmHg
• PKA: 4.04±0.10(Predicted)
• Flash Point: 93.756 °C
• PSA: 43.84000
• Density: 1.224 g/cm³
• LogP: 0.58350
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 97.063997236
• Heavy Atom Count: 7
• Complexity: 64

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-1H-pyrazol-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn，Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC(=N1)N
• Uses: It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 1-Methyl-1H-pyrazol-3-amine

There total 5 articles about 1-Methyl-1H-pyrazol-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: 51.0%

4-iodo-1-methyl-3-nitro-1H-pyrazole (75092-34-1) → methyl-1 amino-3 pyrazole (1904-31-0)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; In water; at 30 ℃; for 2h;

DOI:10.1007/BF01431121

Reference yield: 15.0%

N-(1-methyl-3-pyrazolyl)-acetoacetamide (91027-92-8) → 2,4-dimethyl-2H-pyrazolo<3,4-b>pyridin-6(7H)-one (73810-75-0) + methyl-1 amino-3 pyrazole (1904-31-0)

Guidance literature:

With hydrogenchloride; In ethanol; for 3h; Heating;

Reference yield:

1-methyl-3-nitro-1H-pyrazole (54210-32-1) → 1,1'-dimethyl-3-azoxypyrazole (132038-69-8) + methyl-1 amino-3 pyrazole (1904-31-0)

Guidance literature:

With hydrazine hydrate; nickel; In ethanol; Heating;

DOI:10.1007/BF00480883

upstream raw materials:

N-(1-methyl-3-pyrazolyl)-acetoacetamide

1-methyl-3-nitro-1H-pyrazole

4-iodo-1-methyl-3-nitro-1H-pyrazole

Downstream raw materials:

1-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

N-(1-methyl-1H-pyrazol-3-yl)-toluene-4-sulfonamide

tert-butyl (1-methyl-1H-pyrazol-3-yl)carbamate

5-(4-chloro-phenyl)-1-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

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