4-Methyl-3-piperidin-1-yl-phenylamine

Base Information

• Chemical Name: 4-Methyl-3-piperidin-1-yl-phenylamine
• CAS No.: 882626-96-2
• Molecular Formula: C₁₂H₁₈N₂
• Molecular Weight: 190.288
• DSSTox Substance ID: DTXSID50390307
• Wikidata: Q82186892
• Mol file: 882626-96-2.mol

Synonyms:4-Methyl-3-piperidin-1-yl-phenylamine;882626-96-2;4-methyl-3-(piperidin-1-yl)aniline;4-methyl-3-piperidin-1-ylaniline;4-Methyl-3-(1-piperidinyl)aniline;DTXSID50390307;AKOS000101101;SB42283;CS-0117138

Chemical Property of 4-Methyl-3-piperidin-1-yl-phenylamine

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

4-Methyl-3-piperidin-1-yl-phenylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)N)N2CCCCC2

Technology Process of 4-Methyl-3-piperidin-1-yl-phenylamine

There total 2 articles about 4-Methyl-3-piperidin-1-yl-phenylamine 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:

C25H26N2 → 4-methyl-3-(N-piperidinyl)aniline (882626-96-2)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 22 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.8b00646

Reference yield:

piperidine (110-89-4) + 4-bromo-2-chlorotoluene (89794-02-5) → 4-methyl-3-(N-piperidinyl)aniline (882626-96-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium t-butanolate; ruphos; allyl(2-di-tert-butylphosphino-2‘,4‘,6‘-triisopropyl-1,1‘-biphenyl)palladium(II) triflate / tetrahydrofuran / 22 - 80 °C / Sealed tube; Inert atmosphere; Schlenk technique

2: hydrogenchloride / tetrahydrofuran; water / 22 °C / Inert atmosphere; Schlenk technique

With hydrogenchloride; allyl(2-di-tert-butylphosphino-2‘,4‘,6‘-triisopropyl-1,1‘-biphenyl)palladium(II) triflate; sodium t-butanolate; ruphos; In tetrahydrofuran; water;

DOI:10.1021/acs.orglett.8b00646

upstream raw materials:

piperidine

4-bromo-2-chlorotoluene

Refernces