Methyl 2-(3-aminophenoxy)acetate

Base Information

• Chemical Name: Methyl 2-(3-aminophenoxy)acetate
• CAS No.: 158196-47-5
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• European Community (EC) Number: 836-374-4
• DSSTox Substance ID: DTXSID201301772
• Mol file: 158196-47-5.mol

Synonyms:Methyl 2-(3-aminophenoxy)acetate;158196-47-5;(3-Aminophenoxy)acetic acid methyl ester;METHYL (3-AMINOPHENOXY)ACETATE;Methyl 3-aminophenoxyacetate;SCHEMBL217079;XENTXTUUBRDTST-UHFFFAOYSA-N;DTXSID201301772;(3-Aminophenoxy)aceticacidmethylester;3-aminophenoxyacetic acid methylester;MFCD09047922;3-Aminophenoxyacetic acid methyl ester;AKOS000131940;AB87244;NCGC00336495-01;BS-13798;CS-0447471;EN300-35991;F79351;AB01329679-02

Chemical Property of Methyl 2-(3-aminophenoxy)acetate

Chemical Property:

• PSA: 61.55000
• LogP: 1.40180
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

98% ^*data from raw suppliers

(3-Aminophenoxy)aceticacidmethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)COC1=CC=CC(=C1)N

Technology Process of Methyl 2-(3-aminophenoxy)acetate

There total 4 articles about Methyl 2-(3-aminophenoxy)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: 95.9%

1-methoxycarbonylmethyloxy-3-nitrobenzene (81720-19-6) → methyl 2-(3-aminophenoxy)acetate (158196-47-5)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 18h; under 760.051 Torr; Inert atmosphere;

Reference yield: 88.7%

→ methyl 2-(3-aminophenoxy)acetate (158196-47-5)

Guidance literature:

Reference yield:

meta-nitrophenol (554-84-7) → methyl 2-(3-aminophenoxy)acetate (158196-47-5)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate / acetone / 1 h / 50 °C

2: hydrogen / palladium 10% on activated carbon / methanol / 18 h / 20 °C

With hydrogen; caesium carbonate; palladium 10% on activated carbon; In methanol; acetone;

upstream raw materials:

1-methoxycarbonylmethyloxy-3-nitrobenzene

meta-nitrophenol

Downstream raw materials:

methyl 2-(3-{N-[2-(N-tert-butoxycarbonylamino)acetyl]amino}phenoxy)acetate

C₃₁H₃₈N₄O₆

3-diallylaminophenoxyacetic acid methylester

methyl 2-(3-(dibenzylamino)phenoxy)acetate