3-(4-Boc-piperazin-1-yl-methyl)-5-fluoroaniline

Base Information

• Chemical Name: 3-(4-Boc-piperazin-1-yl-methyl)-5-fluoroaniline
• CAS No.: 873697-59-7
• Molecular Formula: C16H24 F N3 O2
• Molecular Weight: 309.384
• DSSTox Substance ID: DTXSID60703883
• Wikidata: Q82636148
• Mol file: 873697-59-7.mol

Synonyms:873697-59-7;3-(4-Boc-piperazin-1-yl-methyl)-5-fluoroaniline;tert-butyl 4-[(3-amino-5-fluorophenyl)methyl]piperazine-1-carboxylate;3-(4-boc-piperazin-1-ylmethyl)-5-fluoroaniline;SCHEMBL7858026;DTXSID60703883;AKOS027383124;FT-0604264;tert-butyl 4-(3-amino-5-fluorobenzyl)piperazine-1-carboxylate;1-Piperazinecarboxylicacid,4-[(3-amino-5-fluorophenyl)methyl]-,1,1-dimethylethyl ester

Chemical Property of 3-(4-Boc-piperazin-1-yl-methyl)-5-fluoroaniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 416.732°C at 760 mmHg
• Flash Point: 205.832°C
• PSA: 58.80000
• Density: 1.187g/cm³
• LogP: 2.91760
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 309.18525518
• Heavy Atom Count: 22
• Complexity: 378

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC(=C2)F)N

Technology Process of 3-(4-Boc-piperazin-1-yl-methyl)-5-fluoroaniline

There total 1 articles about 3-(4-Boc-piperazin-1-yl-methyl)-5-fluoroaniline 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:

C16H22FN3O4 (873697-58-6) → C16H24FN3O2 (873697-59-7)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 0.75h; under 2585.81 Torr;

Reference yield:

5-isocyanato-2-methylpyridine (732245-99-7) + C16H24FN3O2 (873697-59-7) → C23H30FN5O3 (873697-60-0)

Guidance literature:

In dichloromethane; at 20 ℃; for 1h;

upstream raw materials:

C₁₆H₂₂FN₃O₄

Downstream raw materials:

C₂₃H₃₀FN₅O₃