METHYL 4-(4-(BIS(2-HYDROXYETHYL)AMINO)PHENYL)BUTYRATE

Base Information

• Chemical Name: METHYL 4-(4-(BIS(2-HYDROXYETHYL)AMINO)PHENYL)BUTYRATE
• CAS No.: 130198-76-4
• Molecular Formula: C15H23 N O4
• Molecular Weight: 281.352
• Hs Code.: 2922509090
• Mol file: 130198-76-4.mol

Synonyms:METHYL 4-(4-(BIS(2-HYDROXYETHYL)AMINO)PHENYL)BUTYRATE;METHYL 4-(4-(BIS(2-HYDROETHYL)AMINO)PHENYL)BUTYARTE;METHYL 4-(4-(BIS(B-HYDROXYTHYL)AMINO)PHENYL)BUTYRATE;Methyl-4-(4-bis(-hydroxyethyl)amino)phenyl)butyrate;Methyl4-(bis(2-hydroxyethyl)amino)benzenebutanoate

Chemical Property of METHYL 4-(4-(BIS(2-HYDROXYETHYL)AMINO)PHENYL)BUTYRATE

Chemical Property:

• Vapor Pressure: 3.77E-09mmHg at 25°C
• Refractive Index: 1.56
• Boiling Point: 457.1°C at 760 mmHg
• PKA: 14.31±0.10(Predicted)
• Flash Point: 230.3°C
• PSA: 70.00000
• Density: 1.166g/cm³
• LogP: 0.97330

Purity/Quality:

98%min ^*data from raw suppliers

METHYL-4-(4-(BIS(2-HYDROXYETHYL)AMINO)PHENYL)BUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 4-(4-(BIS(2-HYDROXYETHYL)AMINO)PHENYL)BUTYRATE

There total 7 articles about METHYL 4-(4-(BIS(2-HYDROXYETHYL)AMINO)PHENYL)BUTYRATE 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: 96.4%

oxirane (75-21-8,99932-75-9) + methyl 4-(p-aminophenyl)butyrate (205759-94-0) → methyl 3-<4-phenyl>butyrate (130198-76-4)

Guidance literature:

With water; acetic acid; at 10 - 20 ℃; for 4.5h;

Reference yield:

oxirane (75-21-8,99932-75-9) + methyl 4-(4-aminophenyl)butanoate (20637-09-6) → methyl 3-<4-phenyl>butyrate (130198-76-4)

Guidance literature:

With acetic acid; In tetrahydrofuran; at 110 - 120 ℃; for 48h; Yield given;

DOI:10.1021/jm00173a016

Reference yield:

methyl 4-(4-nitrophenyl)butanoate (20637-02-9) → methyl 3-<4-phenyl>butyrate (130198-76-4)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd/C / ethyl acetate

2: AcOH / tetrahydrofuran / 48 h / 110 - 120 °C

With hydrogen; acetic acid; palladium on activated charcoal; In tetrahydrofuran; ethyl acetate;

DOI:10.1021/jm00173a016

upstream raw materials:

oxirane

methyl 4-(4-aminophenyl)butanoate

methyl 4-(4-nitrophenyl)butanoate

4-(4-aminophenyl)butyric Acid

Downstream raw materials:

methyl 4-(4-(bis(2-chloroethyl)amino)phenyl)butanoate

chlorambucil chloride

N/[3-(dimethylamino)propyl]-4-{4-[bis(2-chloroethyl)amino]phenyl}-butyramide

chlorambucil

Refernces

• 1、 Rapp, Maryse,Giraud, Isabelle,Maurizis, Jean-Claude,Madelmont, Jean-Claude. "Synthesis and pharmacokinetic profile of a quaternary ammonium derivative of chlorambucil, a potential anticancer drug for the chemotherapy of chondrosarcoma". . p. 5007 - 5012. Retrieved 2007/10/03.