tert-Butyl 2-amino-5-(phenoxymethyl)benzoate

Base Information

• Chemical Name: tert-Butyl 2-amino-5-(phenoxymethyl)benzoate
• CAS No.: 88072-00-8
• Molecular Formula: C18H21NO3
• Molecular Weight: 299.37
• DSSTox Substance ID: DTXSID30539439
• Wikidata: Q82415191
• Mol file: 88072-00-8.mol

Synonyms:tert-Butyl 2-amino-5-(phenoxymethyl)benzoate;88072-00-8;DTXSID30539439

Chemical Property of tert-Butyl 2-amino-5-(phenoxymethyl)benzoate

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 299.15214353
• Heavy Atom Count: 22
• Complexity: 358

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1=C(C=CC(=C1)COC2=CC=CC=C2)N

Technology Process of tert-Butyl 2-amino-5-(phenoxymethyl)benzoate

There total 2 articles about tert-Butyl 2-amino-5-(phenoxymethyl)benzoate 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: 80.0%

nitro-2 phenoxymethyl-5 benzoate de t. butyle (88071-96-9) → amino-2 phenoxymethyl-5 benzoate de t. butyle (88072-00-8)

Guidance literature:

With copper acetylacetonate; sodium tetrahydroborate; In ethanol; isopropyl alcohol; at 30 ℃; for 1h;

Reference yield:

5-Methyl-2-nitro-benzoic acid tert-butyl ester (88071-89-0) → amino-2 phenoxymethyl-5 benzoate de t. butyle (88072-00-8)

Guidance literature:

Multi-step reaction with 3 steps

1: NBS, benzoylperoxide / CCl₄ / 5 h / Heating; Irradiation

2: 32 percent / 0.2 N NaOH / methanol / 20 °C

3: 80 percent / NaBH₄, Cu(II) acetylacetonate / ethanol; propan-2-ol / 1 h / 30 °C

With copper acetylacetonate; sodium hydroxide; sodium tetrahydroborate; N-Bromosuccinimide; Perbenzoic acid; In methanol; tetrachloromethane; ethanol; isopropyl alcohol;

Reference yield: 50.0%

amino-2 phenoxymethyl-5 benzoate de t. butyle (88072-00-8) + 3-Bromopropionyl chloride (15486-96-1) → 2-(3-Bromo-propionylamino)-5-phenoxymethyl-benzoic acid tert-butyl ester (88072-03-1)

Guidance literature:

With 2,6-dimethylpyridine; In benzene;

upstream raw materials:

nitro-2 phenoxymethyl-5 benzoate de t. butyle

5-Methyl-2-nitro-benzoic acid tert-butyl ester

Downstream raw materials:

2-(3-Bromo-propionylamino)-5-phenoxymethyl-benzoic acid tert-butyl ester

2-(2-Oxo-azetidin-1-yl)-5-phenoxymethyl-benzoic acid

2-(2-Oxo-azetidin-1-yl)-5-phenoxymethyl-benzoic acid tert-butyl ester