Ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate
• CAS No.: 138420-09-4
• Molecular Formula: C11H10ClNO3
• Molecular Weight: 239.658
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20358419
• Wikidata: Q82138959
• ChEMBL ID: CHEMBL1564204
• Mol file: 138420-09-4.mol

Synonyms:138420-09-4;ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate;Ethyl 2-(5-chlorobenzo[d]oxazol-2-yl)acetate;ethyl (5-chloro-1,3-benzoxazol-2-yl)acetate;2-Benzoxazoleacetic acid, 5-chloro-, ethyl ester;Ethyl2-(5-chlorobenzo[d]oxazol-2-yl)acetate;MLS000708084;CHEMBL1564204;SCHEMBL11336670;DTXSID20358419;HMS1616H02;HMS2702A17;MFCD04210543;STK727718;AKOS000552620;AB20807;CF-0704;Ethyl 5-chlorobenzo[d]oxazole-2-acetate;SMR000287551;FT-0682945;A886243;J-520630

Chemical Property of Ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate

Chemical Property:

• PSA: 52.33000
• LogP: 2.58680
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 239.0349209
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=NC2=C(O1)C=CC(=C2)Cl

Technology Process of Ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate

There total 3 articles about Ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)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: 64.0%

ethyl 3-ethoxy-3-iminopropanoate hydrochloride (2318-25-4,165895-16-9) + 2-hydroxy-5-chloro-aniline (95-85-2) → ethyl 2-(5-chlorobenzo[d]oxazol-2-yl)acetate (138420-09-4)

Guidance literature:

In ethanol; at 80 ℃; for 16h;

DOI:10.1021/acs.jmedchem.9b00147

Reference yield: 51.0%

ethyl 3,3,3-trifluoropropanoate (352-23-8) + 2-hydroxy-5-chloro-aniline (95-85-2) → ethyl 2-(5-chlorobenzo[d]oxazol-2-yl)acetate (138420-09-4)

Guidance literature:

With caesium carbonate; In tetrahydrofuran; at 45 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c8ra02353k

Reference yield:

carbethoxyacetimino ethyl ester hydrochloride + 2-hydroxy-5-chloro-aniline (95-85-2) → ethyl 2-(5-chlorobenzo[d]oxazol-2-yl)acetate (138420-09-4)

Guidance literature:

upstream raw materials:

2-hydroxy-5-chloro-aniline

ethyl 3,3,3-trifluoropropanoate

ethyl 3-ethoxy-3-iminopropanoate hydrochloride