2-(4-METHYL-PIPERAZIN-1-YL)-BENZOIC ACID

Base Information

• Chemical Name: 2-(4-METHYL-PIPERAZIN-1-YL)-BENZOIC ACID
• CAS No.: 159589-70-5
• Molecular Formula: C12H16N2O2
• Molecular Weight: 220.271
• Hs Code.: 2933599090
• Mol file: 159589-70-5.mol

Synonyms:2-(4-Methyl-1-piperazinyl)benzoicacid;

Chemical Property of 2-(4-METHYL-PIPERAZIN-1-YL)-BENZOIC ACID

Chemical Property:

• Vapor Pressure: 3.42E-06mmHg at 25°C
• Melting Point: 67 °C
• Refractive Index: 1.579
• Boiling Point: 372 °C at 760 mmHg
• PKA: 7.91±0.42(Predicted)
• Flash Point: 178.8 °C
• PSA: 43.78000
• Density: 1.188 g/cm³
• LogP: 1.13950

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methylpiperazin-1-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4-METHYL-PIPERAZIN-1-YL)-BENZOIC ACID

There total 2 articles about 2-(4-METHYL-PIPERAZIN-1-YL)-BENZOIC ACID 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: 88.0%

1-methyl-piperazine (109-01-3) + o-fluoro-benzoic acid (445-29-4) → 2-(4-methyl-1-piperazinyl)benzoic acid (159589-70-5)

Guidance literature:

1-methyl-piperazine; With n-butyllithium; In hexane; at -30 - 0 ℃; for 0.5h; Inert atmosphere;

o-fluoro-benzoic acid; In tetrahydrofuran; hexane; at -50 ℃; for 14h; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran; hexane; at 0 ℃; pH=1; Inert atmosphere;

DOI:10.1021/ol1007586

Reference yield: 70.0%

1-methyl-piperazine (109-01-3) + 2-Methoxybenzoic acid (579-75-9) → 2-(4-methyl-1-piperazinyl)benzoic acid (159589-70-5)

Guidance literature:

1-methyl-piperazine; With n-butyllithium; In hexane; at -30 - 0 ℃; for 0.5h; Inert atmosphere;

2-Methoxybenzoic acid; In tetrahydrofuran; hexane; at -50 - 0 ℃; Inert atmosphere;

With hydrogenchloride; water; In tetrahydrofuran; hexane; at 0 ℃; pH=1; Inert atmosphere;

DOI:10.1021/ol1007586

Reference yield: 72.0%

2-(4-methyl-1-piperazinyl)benzoic acid (159589-70-5) + pyridin-3-ylmethyl (4-aminobenzyl)carbamate → pyridin-3-ylmethyl 4-(2-(4-methylpiperazin-1-yl)benzamido)benzylcarbamate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113908

upstream raw materials:

1-methyl-piperazine

2-Methoxybenzoic acid

o-fluoro-benzoic acid

Downstream raw materials:

C₁₇H₂₆N₄O

C₂₄H₃₂N₄O