4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline(SALTDATA: 2HCl)

Base Information

• Chemical Name: 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline(SALTDATA: 2HCl)
• CAS No.: 1005596-25-7
• Molecular Formula: C12H15N3
• Molecular Weight: 201.27
• Hs Code.: 2933199090
• Mol file: 1005596-25-7.mol

Synonyms:4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline(SALTDATA: 2HCl)

Chemical Property of 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline(SALTDATA: 2HCl)

Chemical Property:

• PSA: 43.84000
• LogP: 2.71160

Purity/Quality:

98% ^*data from raw suppliers

4-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]ANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline(SALTDATA: 2HCl)

There total 3 articles about 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline(SALTDATA: 2HCl) 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: 76%

3,5-dimethyl-1-(4-nitrobenzyl)-1H-pyrazole (890641-04-0) → 4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)aniline (1005596-25-7)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethanol; for 24h; under 1650.17 Torr;

DOI:10.1002/cmdc.201600020

Reference yield:

3,5-dimethyl-1H-pyrazole (67-51-6) → 4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)aniline (1005596-25-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 2 h / Reflux

2: tin(II) chloride dihdyrate / ethyl acetate / Reflux

With tin(II) chloride dihdyrate; potassium carbonate; In ethyl acetate; acetonitrile;

DOI:10.3390/molecules170910652

Reference yield:

1-bromomethyl-4-nitro-benzene (100-11-8) → 4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)aniline (1005596-25-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 2 h / Reflux

2: tin(II) chloride dihdyrate / ethyl acetate / Reflux

With tin(II) chloride dihdyrate; potassium carbonate; In ethyl acetate; acetonitrile;

DOI:10.3390/molecules170910652

upstream raw materials:

3,5-dimethyl-1H-pyrazole

3,5-dimethyl-1-(4-nitrobenzyl)-1H-pyrazole

1-bromomethyl-4-nitro-benzene

Downstream raw materials:

C₂₀H₂₅N₃O₄

Refernces

• 1、 Hu, Liming,Yan, Song,Luo, Zaigang,Han, Xiao,Wang, Yujie,Wang, Zhanyang,Zeng, Chengchu. "Design, practical synthesis, and biological evaluation of novel 6-(Pyrazolylmethyl)-4-quinoline-3-carboxylic acid derivatives as HIV-1 integrase inhibitors". . p. 10652 - 10666. Retrieved 2012/11/07.