(1-methyl-1H-pyrazol-3-yl)methanamine

Base Information

• Chemical Name: (1-methyl-1H-pyrazol-3-yl)methanamine
• CAS No.: 612511-81-6
• Molecular Formula: C5H9N3
• Molecular Weight: 111.147
• Hs Code.: 2933199090
• European Community (EC) Number: 695-698-2
• DSSTox Substance ID: DTXSID40427116
• Nikkaji Number: J3.443.522G
• Wikidata: Q72496425
• Mol file: 612511-81-6.mol

Synonyms:612511-81-6;(1-methyl-1H-pyrazol-3-yl)methanamine;(1-methyl-1h-pyrazol-3-yl)methylamine;(1-methylpyrazol-3-yl)methanamine;C-(1-Methyl-1H-pyrazol-3-yl)-methylamine;3-(Aminomethyl)-1-methylpyrazole;1-(1-methyl-1H-pyrazol-3-yl)methanamine;1H-PYRAZOLE-3-METHANAMINE, 1-METHYL-;3-(aminomethyl)-1-methyl-1h-pyrazole;MFCD03419807;[(1-METHYL-1H-PYRAZOL-3-YL)METHYL]AMINE;1H-Pyrazole-3-methanamine,1-methyl-;SCHEMBL348762;DTXSID40427116;SSXDUSOCSNXBPO-UHFFFAOYSA-N;BBL104303;STK301288;AKOS000308246;PB29254;PS-3529;3-(aminomethyl)-1-methyl-1h- pyrazole;(1-Methyl-1H-pyrazole-3-yl)methylamine;SY024167;AM20100490;CS-0053896;FT-0720788;EN300-122847;Not available;P10261;A855766;(1-Methyl-1H-pyrazol-3-yl)methylamine, AldrichCPR;J-500225

Chemical Property of (1-methyl-1H-pyrazol-3-yl)methanamine

Chemical Property:

• Vapor Pressure: 0.117mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 219.8 °C at 760 mmHg
• PKA: 8.23±0.29(Predicted)
• Flash Point: 86.7 °C
• PSA: 43.84000
• Density: 1.16 g/cm³
• LogP: 0.57910
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.079647300
• Heavy Atom Count: 8
• Complexity: 74.1

Purity/Quality:

98%Min ^*data from raw suppliers

(1-methyl-1H-pyrazol-3-yl)methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC(=N1)CN

Technology Process of (1-methyl-1H-pyrazol-3-yl)methanamine

There total 5 articles about (1-methyl-1H-pyrazol-3-yl)methanamine 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:

methyl ester of 1-methylpyrazole-3-carboxylic acid (17827-61-1) → 1-(1-methyl-1H-pyrazol-3-yl)methanamine (612511-81-6)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonium hydroxide / 2 h / 20 °C

2: lithium aluminium tetrahydride / 1,4-dioxane / 3 h / 100 °C

With ammonium hydroxide; lithium aluminium tetrahydride; In 1,4-dioxane;

Reference yield:

1-methyl-1H-pyrazole-3-carboxamide (89179-62-4) → 1-(1-methyl-1H-pyrazol-3-yl)methanamine (612511-81-6) + C-(1H-pyrazol-3-yl)methylamine (37599-58-9)

Guidance literature:

1-methyl-1H-pyrazole-3-carboxamide; With borane-THF; In tetrahydrofuran; at 65 ℃; for 18h;

With hydrogenchloride; methanol; water; In tetrahydrofuran;

Reference yield:

1-methyl-1H-pyrazole-3-carboxamide (89179-62-4) → 1-(1-methyl-1H-pyrazol-3-yl)methanamine (612511-81-6)

Guidance literature:

With lithium aluminium tetrahydride; In 1,4-dioxane; at 100 ℃; for 3h;

upstream raw materials:

1-methyl-1H-pyrazole-3-carboxamide

1-methylpyrazole-3-carboxylic acid

methyl ester of 1-methylpyrazole-3-carboxylic acid

1-Methylpyrazole-3-carboxylic acid nitrile

Refernces

• 1、 -. "SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS". . . Retrieved 2014/09/29.
• 2、 -. "NOVEL COMPOUNDS". Page/Page column 50-51. . Retrieved 2008/06/13.