Ethyl 4-(1,3-benzoxazol-2-ylamino)benzoate

Base Information

• Chemical Name: Ethyl 4-(1,3-benzoxazol-2-ylamino)benzoate
• CAS No.: 20852-34-0
• Molecular Formula: C16H14N2O3
• Molecular Weight: 282.299
• Hs Code.: 2934999090
• NSC Number: 114995
• DSSTox Substance ID: DTXSID90297260
• Wikidata: Q82038274
• Mol file: 20852-34-0.mol

Synonyms:20852-34-0;ethyl 4-(1,3-benzoxazol-2-ylamino)benzoate;ethyl 4-(benzo[d]oxazol-2-ylamino)benzoate;Benzoic acid, 4-(2-benzoxazolylamino)-, ethyl ester;NSC114995;SCHEMBL2682409;DTXSID90297260;NSC-114995;Ethyl 4-[(1,3-benzoxazol-2-yl)amino]benzoate;A848055

Chemical Property of Ethyl 4-(1,3-benzoxazol-2-ylamino)benzoate

Chemical Property:

• Vapor Pressure: 1.16E-07mmHg at 25°C
• Boiling Point: 431.9°Cat760mmHg
• Flash Point: 215°C
• PSA: 64.36000
• Density: 1.283g/cm³
• LogP: 3.82110
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 282.10044231
• Heavy Atom Count: 21
• Complexity: 355

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3O2

Technology Process of Ethyl 4-(1,3-benzoxazol-2-ylamino)benzoate

There total 4 articles about Ethyl 4-(1,3-benzoxazol-2-ylamino)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: 95.0%

4-ethoxycarbonylphenyl isothiocyanate (1205-06-7) + 2-amino-phenol (95-55-6) → ethyl 4-(benzo[d]oxazol-2-ylamino)benzoate (20852-34-0)

Guidance literature:

With dihydrogen peroxide; In ethanol; water; at 100 ℃; for 0.166667h; Microwave irradiation; Sealed tube; Green chemistry;

DOI:10.1080/00397911.2021.1928217

Reference yield:

C16H16N2O3S → ethyl 4-(benzo[d]oxazol-2-ylamino)benzoate (20852-34-0)

Guidance literature:

With N-cylcohexylcarbodiimide, N'-methyl-polystyrene resin; In dichloromethane; at 20 ℃;

DOI:10.1021/jm800313f

Reference yield:

2-chloro-1,3-benzoxazole (615-18-9) + p-aminoethylbenzoate (94-09-7) → ethyl 4-(benzo[d]oxazol-2-ylamino)benzoate (20852-34-0)

Guidance literature:

Heating;

DOI:10.1002/jps.2600571013

upstream raw materials:

2-chloro-1,3-benzoxazole

p-aminoethylbenzoate

4-ethoxycarbonylphenyl isothiocyanate

2-amino-phenol

Downstream raw materials:

4-(benzo[d]oxazol-2-ylamino)benzoic acid

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