3-Amino-2-tert-butoxycarbonylamino-benzoic acid methyl ester

Base Information

• Chemical Name: 3-Amino-2-tert-butoxycarbonylamino-benzoic acid methyl ester
• CAS No.: 474708-09-3
• Molecular Formula: C13H18N2O4
• Molecular Weight: 266.297
• DSSTox Substance ID: DTXSID60696009
• Wikidata: Q82625413
• Mol file: 474708-09-3.mol

Synonyms:474708-09-3;3-AMINO-2-TERT-BUTOXYCARBONYLAMINO-BENZOIC ACID METHYL ESTER;Methyl 3-amino-2-((tert-butoxycarbonyl)amino)benzoate;methyl 3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate;Methyl 3-amino-2-[(tert-butoxycarbonyl)amino]benzoate;SCHEMBL3668870;DTXSID60696009;KOFNWCCYWMSYSU-UHFFFAOYSA-N;SB37282;CS-0452817;Methyl 3-amino-2[(tert-butoxycarbonyl)amino]benzoate;benzoic acid,3-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester

Chemical Property of 3-Amino-2-tert-butoxycarbonylamino-benzoic acid methyl ester

Chemical Property:

• PSA: 94.14000
• LogP: 2.99720
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 266.12665706
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

≥95% ^*data from raw suppliers

3-Amino-2-tert-butoxycarbonylamino-benzoicacidmethylester 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=C(C=CC=C1N)C(=O)OC

Technology Process of 3-Amino-2-tert-butoxycarbonylamino-benzoic acid methyl ester

There total 1 articles about 3-Amino-2-tert-butoxycarbonylamino-benzoic acid methyl ester 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: 82.0%

methyl 2-(N-tert-butoxycarbonylamino)-3-nitrobenzoate (57113-90-3) → Methyl 3-amino-2-[(tert-butoxycarbonyl)amino]benzoate (474708-09-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 5h;

Reference yield: 85.0%

Methyl 3-amino-2-[(tert-butoxycarbonyl)amino]benzoate (474708-09-3) → 2,3-diaminobenzoic acid methyl ester (107582-20-7)

Guidance literature:

Methyl 3-amino-2-[(tert-butoxycarbonyl)amino]benzoate; With trifluoroacetic acid; at 20 ℃; for 3h;

With sodium hydrogencarbonate; In water; Product distribution / selectivity;

upstream raw materials:

methyl 2-(N-tert-butoxycarbonylamino)-3-nitrobenzoate

Downstream raw materials:

2,3-diaminobenzoic acid methyl ester

Refernces