Ethyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate

Base Information

• Chemical Name: Ethyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate
• CAS No.: 6327-96-4
• Molecular Formula: C14H21 N O5
• Molecular Weight: 283.324
• NSC Number: 44430
• DSSTox Substance ID: DTXSID70979335
• Wikidata: Q82964944

Synonyms:6327-96-4;NSC44430;DTXSID70979335;NSC-44430;Ethyl {4-[bis(2-hydroxyethyl)amino]phenoxy}acetate

Chemical Property of Ethyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate

Chemical Property:

• Vapor Pressure: 1.6E-09mmHg at 25°C
• Boiling Point: 467°Cat760mmHg
• Flash Point: 236.2°C
• Density: 1.218g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 283.14197277
• Heavy Atom Count: 20
• Complexity: 260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=CC=C(C=C1)N(CCO)CCO

Technology Process of Ethyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate

There total 2 articles about Ethyl 2-[4-[bis(2-hydroxyethyl)amino]phenoxy]acetate 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: 22.5%

oxirane (75-21-8,99932-75-9) + ethyl 2-(4-aminophenoxy)acetate (20485-38-5) → (4-N,N-bis(2-hydroxyethyl)phenoxy)acetic acid ethyl ester (6327-96-4)

Guidance literature:

With acetic acid; at 0 ℃;

DOI:10.1021/ja048543m

Reference yield:

4-amino-phenol (123-30-8) → (4-N,N-bis(2-hydroxyethyl)phenoxy)acetic acid ethyl ester (6327-96-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / dimethylformamide / 0.5 h / 0 °C

1.2: 27.5 percent / dimethylformamide / 0 - 20 °C

2.1: 22.5 percent / aq. acetic acid / 0 °C

With sodium hydride; acetic acid; In N,N-dimethyl-formamide;

DOI:10.1021/ja048543m

Reference yield: 63.3%

(4-N,N-bis(2-hydroxyethyl)phenoxy)acetic acid ethyl ester (6327-96-4) → (4-bis(2-chloroethyl)aminophenoxy)acetic acid ethyl ester (740838-65-7)

Guidance literature:

With trichlorophosphate; In benzene; at 100 - 110 ℃; for 1h;

DOI:10.1021/ja048543m

upstream raw materials:

oxirane

ethyl 2-(4-aminophenoxy)acetate

4-amino-phenol

Downstream raw materials:

(4-bis(2-chloroethyl)aminophenoxy)acetic acid ethyl ester

(4-bis(2-chloroethyl)aminophenoxy)acetic acid

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