Tert-butyl (3-amino-phenoxy)-acetate

Base Information

• Chemical Name: Tert-butyl (3-amino-phenoxy)-acetate
• CAS No.: 138563-68-5
• Molecular Formula: C12H17NO3
• Molecular Weight: 223.272
• DSSTox Substance ID: DTXSID50441762
• Nikkaji Number: J2.107.580I
• Wikidata: Q82258687
• Mol file: 138563-68-5.mol

Synonyms:138563-68-5;Tert-butyl 2-(3-aminophenoxy)acetate;Acetic acid, (3-aminophenoxy)-, 1,1-dimethylethyl ester;tert-butyl (3-amino-phenoxy)-acetate;(3-Amino-phenoxy)-acetic acid tert-butyl ester;SCHEMBL2838476;DTXSID50441762;SNWXFRCJJPEGER-UHFFFAOYSA-N;(3-Aminophenoxy)acetic acid tert-butyl ester;CS-0432943;F84016;EN300-1003178

Chemical Property of Tert-butyl (3-amino-phenoxy)-acetate

Chemical Property:

• PSA: 61.55000
• LogP: 2.57050
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl (3-amino-phenoxy)-acetate

There total 7 articles about Tert-butyl (3-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: 94.0%

tert-butyl 2-(3-nitrophenoxy)acetate (138563-69-6) → tert-butyl (3-amino-phenoxy)-acetate (138563-68-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 24h;

DOI:10.1016/j.ejmech.2017.09.070

Reference yield: 72.0%

→ tert-butyl (3-amino-phenoxy)-acetate (138563-68-5)

Guidance literature:

Reference yield:

bromoacetic acid tert-butyl ester (5292-43-3) → tert-butyl (3-amino-phenoxy)-acetate (138563-68-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / K₂CO₃ / acetone / 20 °C

2: 80 percent / H₂ / Pd/C (10 percent) / ethanol / 760 Torr

With hydrogen; potassium carbonate; palladium on activated charcoal; In ethanol; acetone;

upstream raw materials:

tert-butyl 2-(3-nitrophenoxy)acetate

bromoacetic acid tert-butyl ester

meta-nitrophenol

Downstream raw materials:

[3-(3-{1-[(Isopropyl-phenyl-carbamoyl)-methyl]-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl}-ureido)-phenoxy]-acetic acid tert-butyl ester

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

[3-((R)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-phenoxy]-acetic acid tert-butyl ester

[(S)-2-((R)-1-{[(3-tert-Butoxycarbonylmethoxy-phenylcarbamoyl)-methyl]-carbamoyl}-2-phenyl-ethylcarbamoyl)-pyrrolidin-1-yl]-oxo-acetic acid methyl ester