3-Methoxy-4-(4-methylpiperazin-1-yl)aniline

Base Information

• Chemical Name: 3-Methoxy-4-(4-methylpiperazin-1-yl)aniline
• CAS No.: 156428-85-2
• Molecular Formula: C12H19N3O
• Molecular Weight: 221.302
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70474315
• Wikidata: Q82304248
• Mol file: 156428-85-2.mol

Synonyms:3-methoxy-4-(4-methylpiperazin-1-yl)aniline;156428-85-2;3-Methoxy-4-(4-methyl-piperazin-1-yl)-phenylamine;3-Methoxy-4-(4-methyl-1-piperazinyl)aniline;MFCD09909622;SCHEMBL189143;DTXSID70474315;AFEAGBCLWMVRHF-UHFFFAOYSA-N;AKOS005147585;SY239993;CS-0112744;3-methoxy-4-(4-methylpiperazin-1-yl) aniline;3-methoxy-4-(4-methylpiperazin-1-yl)phenylamine;3-(methyloxy)-4-(4-methyl-1-piperazinyl)aniline;3-Methoxy-4-(4-methylpiperazin-1-yl)-phenylamine;EN300-10463506;3-methoxy-4-(4-methylpiperazin-1-yl)aniline, AldrichCPR

Chemical Property of 3-Methoxy-4-(4-methylpiperazin-1-yl)aniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 394.869oC at 760 mmHg
• PKA: 8.21±0.40(Predicted)
• Flash Point: 192.61oC
• PSA: 41.73000
• Density: 1.112g/cm3
• LogP: 1.61330
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 221.152812238
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

NLT 98% ^*data from raw suppliers

3-Methoxy-4-(4-methyl-1-piperazinyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)N)OC

Technology Process of 3-Methoxy-4-(4-methylpiperazin-1-yl)aniline

There total 7 articles about 3-Methoxy-4-(4-methylpiperazin-1-yl)aniline 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: 97.0%

1–(2-methoxy-4-nitrophenyl)-4-methylpiperazine (209482-01-9) → 3-methoxy-4-(4-methylpiperazin-1-yl)aniline (156428-85-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 3h;

DOI:10.1021/ml300246r

Reference yield:

2-chloro-5-nitroanisole (1009-36-5) → 3-methoxy-4-(4-methylpiperazin-1-yl)aniline (156428-85-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 °C

2: H₂ / Pd/C / ethanol / 16 h / 20 °C

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm060435i

Reference yield:

1-methyl-piperazine (109-01-3) → 3-methoxy-4-(4-methylpiperazin-1-yl)aniline (156428-85-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 20 h / 100 °C

2: palladium 10% on activated carbon; hydrogen / ethanol / 3 h / 20 °C

With palladium 10% on activated carbon; hydrogen; In ethanol;

DOI:10.1021/ml300246r

upstream raw materials:

1–(2-methoxy-4-nitrophenyl)-4-methylpiperazine

1-methyl-piperazine

2-chloro-5-nitroanisole

1-fluoro-2-methoxy-4-nitrobenzene

Downstream raw materials:

N-(3-methoxy-4-(4-methylpiperazin-1-yl)phenyl)-1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C₁₇H₂₁IN₄O

C₂₄H₂₇ClN₄O₂

C₂₄H₂₅N₅O

Refernces

• 1、 Chai, Yingying,Chen, Hai,He, Yang,Huang, Ridong,Li, Weimin,Li, Ying,Ma, Lingling,Xia, Zhenqiang,Yu, Quanwei,Zhou, Xinglong. "The synthesis and bioactivity of pyrrolo[2,3-d]pyrimidine derivatives as tyrosine kinase inhibitors for NSCLC cells with EGFR mutations". . . Retrieved 2021/07/28.
• 2、 -. "Pyrrolo [2, 3-d] pyrimidine derivative targeting EGFR mutation as well as preparation method and application of pyrrolo [2, 3-d] pyrimidine derivative". Paragraph 0078-0080; 0095. . Retrieved 2020/11/10.