3-Bromo-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid

Base Information

• Chemical Name: 3-Bromo-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
• CAS No.: 765269-29-2
• Molecular Formula: C₁₃H₁₇BrN₂O₂
• Molecular Weight: 313.194
• Hs Code.: 2933599090
• Mol file: 765269-29-2.mol

Synonyms:3-Bromo-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid;3-BROMO-4-[(4-METHYL-1-PIPERAZINYL)METHYL]BENZOIC ACID

Chemical Property of 3-Bromo-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid

Chemical Property:

• Vapor Pressure: 7.94E-08mmHg at 25°C
• Boiling Point: 420.6°C at 760 mmHg
• PKA: 3.92±0.10(Predicted)
• Flash Point: 208.2°C
• PSA: 43.78000
• Density: 1.452g/cm³
• LogP: 1.77050

Purity/Quality:

97% ^*data from raw suppliers

3-bromo-4-((4-methylpiperazin-1-yl)methyl)benzoic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Bromo-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid

There total 4 articles about 3-Bromo-4-[(4-methylpiperazin-1-yl)methyl]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:

3-bromo-4-methylbenzoic acid (7697-26-9) → 3-bromo-4-(4-methyl-piperazin-1-ylmethyl)-benzoic acid (765269-29-2)

Guidance literature:

Multi-step reaction with 4 steps

1: H₂SO₄ / Heating

2: N-bromosuccinimide / (PhCO)2O₂ / CCl₄ / Heating

3: K₂CO₃ / tetrahydrofuran / 20 °C

4: aq. NaOH / Heating

With sodium hydroxide; N-Bromosuccinimide; sulfuric acid; potassium carbonate; dibenzoyl peroxide; In tetrahydrofuran; tetrachloromethane;

DOI:10.1016/j.bmcl.2005.11.042

Reference yield:

ethyl 3-bromo-4-methylbenzoate (147962-81-0) → 3-bromo-4-(4-methyl-piperazin-1-ylmethyl)-benzoic acid (765269-29-2)

Guidance literature:

Multi-step reaction with 3 steps

1: N-bromosuccinimide / (PhCO)2O₂ / CCl₄ / Heating

2: K₂CO₃ / tetrahydrofuran / 20 °C

3: aq. NaOH / Heating

With sodium hydroxide; N-Bromosuccinimide; potassium carbonate; dibenzoyl peroxide; In tetrahydrofuran; tetrachloromethane;

DOI:10.1016/j.bmcl.2005.11.042

Reference yield:

3-bromo-4-bromomethyl-benzoic acid ethyl ester (113641-88-6) → 3-bromo-4-(4-methyl-piperazin-1-ylmethyl)-benzoic acid (765269-29-2)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / tetrahydrofuran / 20 °C

2: aq. NaOH / Heating

With sodium hydroxide; potassium carbonate; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2005.11.042

upstream raw materials:

3-bromo-4-(4-methylpiperazin-1-ylmethyl)benzoic acid ethyl ester

3-bromo-4-methylbenzoic acid

ethyl 3-bromo-4-methylbenzoate

3-bromo-4-bromomethyl-benzoic acid ethyl ester