6-Chloroacetyl-2-benzoxazolinone

Base Information

• Chemical Name: 6-Chloroacetyl-2-benzoxazolinone
• CAS No.: 54903-10-5
• Molecular Formula: C9H6ClNO3
• Molecular Weight: 211.605
• Hs Code.: 2934999090
• European Community (EC) Number: 624-715-8
• DSSTox Substance ID: DTXSID70203400
• Nikkaji Number: J3.270.154J
• Wikidata: Q27193359
• ChEMBL ID: CHEMBL1464283
• Mol file: 54903-10-5.mol

Synonyms:6-Chloroacetyl-2-benzoxazolinone;54903-10-5;JPB 24;6-(2-chloroacetyl)benzo[d]oxazol-2(3h)-one;6-(2-chloroacetyl)-3H-1,3-benzoxazol-2-one;2(3H)-Benzoxazolone, 6-(chloroacetyl)-;6-(Chloroacetyl)-2(3H)-benzoxazolone;BRN 0980672;MFCD01664322;6-(2-chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one;6-(2-chloroacetyl)-3-hydrobenzoxazol-2-one;MLS000774299;SCHEMBL172191;CHEMBL1464283;DTXSID70203400;CHEBI:112896;KOOWFDRPKXUCRF-UHFFFAOYSA-N;AKOS001075241;6-(Chloroacetyl)benzoxazole-2(3H)-one;6-Chloroacetyl-2-benzoxazolinone, 97%;NCGC00246180-01;6-(2-chloroacetyl)-2(1H)-benzoxazolone;LS-42343;NS-02380;SMR000365396;6-chloroacetyl-2,3-dihydrobenzoxazol-2-one;CS-0308604;FT-0640278;6-(2-Chloroacetyl)-2-hydroxybenzo[d]oxazole;6-CHLOROACETYL-2-BENZOXAZOLINONE 97;EN300-12541;5-O-(4-METHYLPHENYLSULPHONYL)THYMIDINE;SR-01000065952;6-(2-chloro-1-oxoethyl)-3H-1,3-benzoxazol-2-one;SR-01000065952-1;Q27193359;Z85923172

Chemical Property of 6-Chloroacetyl-2-benzoxazolinone

Chemical Property:

• Appearance/Colour: solid
• Melting Point: 270-274 °C(lit.)
• Refractive Index: 1.593
• PSA: 63.07000
• Density: 1.459 g/cm³
• LogP: 1.54260
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 211.0036207
• Heavy Atom Count: 14
• Complexity: 269

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Chloroacetyl-2-benzoxazolinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(=O)CCl)OC(=O)N2

Technology Process of 6-Chloroacetyl-2-benzoxazolinone

There total 1 articles about 6-Chloroacetyl-2-benzoxazolinone 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:

→ 6-(2-chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one (54903-10-5)

Guidance literature:

3-Methylbenzoxazolinon, Polyphosphorsaeure, Chloressigsaeure;

Reference yield: 92.0%

4-amino-5-(2,4-dimethoxyphenyl)-3-mercapto-(4H)-1,2,4-triazole (750624-63-6) + 6-(2-chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one (54903-10-5) → 6-(2-(5-(2,4-dimethoxyphenyl)-4-amino-4H-1,2,4-triazol-3-ylthio)acetyl)benzo[d]oxazol-2(3H)-one (1003848-85-8)

Guidance literature:

In isopropyl alcohol; for 2.5h; Heating / reflux;

Reference yield: 67.0%

1-(3-(methylthio)phenyl)thiourea (71205-41-9) + 6-(2-chloroacetyl)-2,3-dihydro-1,3-benzoxazol-2-one (54903-10-5) → 6-(2-((3-(methylthio)phenyl)amino)thiazol-4-yl)benzo[d]oxazol-2(3H)-one

Guidance literature:

In ethanol; Reflux;

DOI:10.1016/j.ejmech.2015.05.030

Downstream raw materials:

6-(2-(5-(2,4-dimethoxyphenyl)-4-amino-4H-1,2,4-triazol-3-ylthio)acetyl)benzo[d]oxazol-2(3H)-one

6-{[(4-phenyl-5-pyridin-4-yl-4H-1,2,4-triazol-3-yl)thio]acetyl}-1,3-benzoxazol-2(3H)-one

4-chlorobenzyl 4-[2-oxo-2-(2-oxo-2,3-dihydrobenzoxazol-6-yl)ethyl]piperazine-1-carboxylate

6-[(4-phenylpiperazin-1-yl)acetyl]-1,3-benzoxazol-2(3H)-one hydrochloride