3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-amine

Base Information

• Chemical Name: 3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-amine
• CAS No.: 956397-18-5
• Molecular Formula: C₁₃H₁₆ClN₃
• Molecular Weight: 249.743
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID70426854
• Wikidata: Q82239650
• Mol file: 956397-18-5.mol

Synonyms:956397-18-5;3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-amine;3-(tert-Butyl)-1-(2-chlorophenyl)-1H-pyrazol-5-amine;5-TERT-BUTYL-2-(2-CHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE;5-TERT-BUTYL-2-(2-CHLOROPHENYL)PYRAZOL-3-AMINE;SCHEMBL1011502;DTXSID70426854;AHLRDDKINAAAJO-UHFFFAOYSA-N;MFCD04115098;AKOS009113762;AB19608;FT-0738782;EN300-39845;3-tert-Butyl-1-(2-chlorophenyl)-1H-pyrazol-5-amine, AldrichCPR

Chemical Property of 3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-amine

Chemical Property:

• PSA: 43.84000
• LogP: 3.98660
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 249.1032752
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

3-tert-Butyl-1-(2-chlorophenyl)-1H-pyrazol-5-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NN(C(=C1)N)C2=CC=CC=C2Cl

Technology Process of 3-tert-butyl-1-(2-chlorophenyl)-1H-pyrazol-5-amine

There total 2 articles about 3-tert-butyl-1-(2-chlorophenyl)-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:

trimethylacetylacetonitrile (59997-51-2) + (2-chlorophenyl)hydrazine (10449-07-7) → N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amine (956397-18-5)

Guidance literature:

DOI:10.1039/c6md00262e

Reference yield:

→ N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amine (956397-18-5)

Guidance literature:

Reference yield:

N-[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amine (956397-18-5) + p-chlorphenylisocyanate (104-12-1) → 1-(5-tert-butyl-2-(o-chloro-phenyl)-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea

Guidance literature:

In dichloromethane; at 25 ℃;

DOI:10.1039/c6md00262e

upstream raw materials:

trimethylacetylacetonitrile

(2-chlorophenyl)hydrazine