Methyl 4-[bis(2-hydroxyethyl)amino]benzenehexanoate

Base Information

• Chemical Name: Methyl 4-[bis(2-hydroxyethyl)amino]benzenehexanoate
• CAS No.: 130198-78-6
• Molecular Formula: C₁₇H₂₇NO₄
• Molecular Weight: 309.406
• DSSTox Substance ID: DTXSID601222075

Synonyms:Methyl 4-[bis(2-hydroxyethyl)amino]benzenehexanoate;DTXSID601222075;130198-78-6

Chemical Property of Methyl 4-[bis(2-hydroxyethyl)amino]benzenehexanoate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 309.19400834
• Heavy Atom Count: 22
• Complexity: 284

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CCCCCC1=CC=C(C=C1)N(CCO)CCO

Technology Process of Methyl 4-[bis(2-hydroxyethyl)amino]benzenehexanoate

There total 2 articles about Methyl 4-[bis(2-hydroxyethyl)amino]benzenehexanoate 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:

6-(p-Nitrophenyl)-hexansaeuremethylester (61346-09-6) → 6-{4-[Bis-(2-hydroxy-ethyl)-amino]-phenyl}-hexanoic acid methyl ester (130198-78-6)

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

Reference yield:

oxirane (75-21-8,99932-75-9) + 6-(4-Amino-phenyl)-hexanoic acid methyl ester (123043-07-2) → 6-{4-[Bis-(2-hydroxy-ethyl)-amino]-phenyl}-hexanoic acid methyl ester (130198-78-6)

Guidance literature:

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

DOI:10.1021/jm00173a016

Reference yield:

6-{4-[Bis-(2-hydroxy-ethyl)-amino]-phenyl}-hexanoic acid methyl ester (130198-78-6) → 6-{4-[Bis-(2-chloro-ethyl)-amino]-phenyl}-hexanoic acid methyl ester

Guidance literature:

With trichlorophosphate; In benzene; for 1h; Heating;

DOI:10.1021/jm00173a016

upstream raw materials:

oxirane

6-(4-Amino-phenyl)-hexanoic acid methyl ester

6-(p-Nitrophenyl)-hexansaeuremethylester

Downstream raw materials:

[4-(5-Amino-pentyl)-phenyl]-bis-(2-chloro-ethyl)-amine

6-{4-[Bis-(2-chloro-ethyl)-amino]-phenyl}-hexanoic acid

Acridin-9-yl-(5-{4-[bis-(2-chloro-ethyl)-amino]-phenyl}-pentyl)-amine

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