Ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Base Information

• Chemical Name: Ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
• CAS No.: 73824-25-6
• Molecular Formula: C11H11NO3S
• Molecular Weight: 237.27500
• DSSTox Substance ID: DTXSID50353715
• Nikkaji Number: J341.527I
• Wikidata: Q82131449
• Mol file: 73824-25-6.mol

Synonyms:ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate;73824-25-6;Acetic acid, (2-benzoxazolylthio)-, ethyl ester;ethyl (1,3-benzoxazol-2-ylsulfanyl)acetate;Ethyl 2-(benzo[d]oxazol-2-ylthio)acetate;ChemDiv3_000947;Oprea1_221001;Oprea1_737338;DTXSID50353715;PNLSMEXGDDKKDY-UHFFFAOYSA-N;HMS1475L01;STK795750;AKOS000520669;CCG-104844;IDI1_019913;CS-0331180;EU-0069089;SR-01000408616;A1-03725;SR-01000408616-1;BRD-K89501234-001-01-2;Acetic acid, 2-(1,3-benzoxazol-2-ylthio)-, ethyl ester

Chemical Property of Ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Chemical Property:

• PSA: 77.63000
• LogP: 2.48300
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 237.04596439
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

Ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CSC1=NC2=CC=CC=C2O1

Technology Process of Ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

There total 7 articles about Ethyl 2-(1,3-benzoxazol-2-ylsulfanyl)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: 97.0%

chloroacetic acid ethyl ester (105-39-5) + 2-sulfanyl-1,3-benzoxazole (2382-96-9,118090-08-7) → benzoxazol-2'-yl-mercaptoacetic acid ethyl ester (73824-25-6)

Guidance literature:

In acetonitrile; Ambient temperature; electrooxidation, supporting electrolyte Et₄NBr;

DOI:10.1055/s-1990-27030

Reference yield: 70.0%

ethyl bromoacetate (105-36-2) + 2-sulfanyl-1,3-benzoxazole (2382-96-9,118090-08-7) → benzoxazol-2'-yl-mercaptoacetic acid ethyl ester (73824-25-6)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b03852

Reference yield: 48.0%

diazoacetic acid ethyl ester (623-73-4) + 2-sulfanyl-1,3-benzoxazole (2382-96-9,118090-08-7) → benzoxazol-2'-yl-mercaptoacetic acid ethyl ester (73824-25-6)

Guidance literature:

In water; acetonitrile; at 20 ℃; for 24h; Irradiation;

upstream raw materials:

chloroacetic acid ethyl ester

2-sulfanyl-1,3-benzoxazole

ethyl bromoacetate

2-mercaptobenzoxazole sodium salt

Downstream raw materials:

2-(1,3-benzoxazol-2-ylsulfanyl)-1-(hydrazinyloxy)ethanone

(Benzooxazol-2-ylsulfanyl)-acetic acid [1-(2-chloro-phenyl)-meth-(E)-ylidene]-hydrazide

(Benzooxazol-2-ylsulfanyl)-acetic acid [1-(3-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide

(Benzooxazol-2-ylsulfanyl)-acetic acid [1-(2-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide