1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine

Base Information

• Chemical Name: 1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine
• CAS No.: 3524-40-1
• Molecular Formula: C11H12 Cl N3
• Molecular Weight: 221.689
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID90585896
• Wikidata: Q82477907
• Mol file: 3524-40-1.mol

Synonyms:3524-40-1;1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine;2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-amine;1-(2-Chlorobenzyl)-3-methyl-1H-pyrazol-5-amine hydrochloride;1-[(2-Chlorophenyl)methyl]-3-methyl-1H-pyrazol-5-amine;SCHEMBL13739034;DTXSID90585896;2-(2-CHLORO-BENZYL)-5-METHYL-2H-PYRAZOL-3-YLAMINE;AM9891;MFCD08457418;AKOS000265060;BS-36735;CS-0282754;EN300-230686;2-(2-Chloro-benzyl)-5-methyl-2H-pyrazol-3-ylamine, AldrichCPR

Chemical Property of 1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.627
• Boiling Point: 401.512°C at 760 mmHg
• PKA: 4.29±0.10(Predicted)
• Flash Point: 196.628°C
• PSA: 43.84000
• Density: 1.279g/cm³
• LogP: 3.05660
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 221.0719751
• Heavy Atom Count: 15
• Complexity: 212

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=C1)N)CC2=CC=CC=C2Cl

Technology Process of 1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine

There total 2 articles about 1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-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: 85.0%

3-Aminocrotononitrile (1118-61-2) + [(2-chlorophenyl)methyl]hydrazine dihydrochloride (64415-10-7) → 1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine (3524-40-1)

Guidance literature:

With hydrogenchloride; In water; for 3h; Inert atmosphere; Reflux;

DOI:10.1021/acs.jmedchem.9b00826

Reference yield: 85.0%

→ 1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine (3524-40-1)

Guidance literature:

With hydrogenchloride; In water; for 3h; Reflux;

Reference yield: 78.0%

(2-bromo-4,6-bis(methoxymethoxy)phenyl)-(isoindolin-2-yl)methanone + 1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine (3524-40-1) → (2-((1-(2-chlorobenzyl)-3-methyl-1H-pyrazol-5-yl)amino)-4,6-bis(methoxymethoxy)phenyl)(isoindolin-2-yl)methanone

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium phenoxide; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 60 - 120 ℃; for 5.5h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b00826

upstream raw materials:

3-Aminocrotononitrile

[(2-chlorophenyl)methyl]hydrazine dihydrochloride