N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Base Information

• Chemical Name: N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
• CAS No.: 6572-99-2
• Molecular Formula: C19H15Cl2FN2O4
• Molecular Weight: 425.2378
• DSSTox Substance ID: DTXSID70984262
• Wikidata: Q82971429
• ChEMBL ID: CHEMBL587174
• Mol file: 6572-99-2.mol

Synonyms:TCMDC-123635;N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;6572-99-2;Cambridge id 6572992;Oprea1_252885;Oprea1_624025;CHEMBL587174;DTXSID70984262;STK999578;AKOS001664815;AB00110384-01;N-(4-Chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboximidic acid

Chemical Property of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

Chemical Property:

• Vapor Pressure: 5.83E-10mmHg at 25°C
• Boiling Point: 495.6°C at 760 mmHg
• Flash Point: 253.5°C
• Density: 1.408g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 424.0392905
• Heavy Atom Count: 28
• Complexity: 546

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CC(=C(C=C3OC)Cl)OC

Technology Process of N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

There total 7 articles about N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide 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%

thiacyclo-oct-4-ene (175603-35-7) → thiacyclooctane (6572-99-2)

Guidance literature:

With hydrogen; (1+)*CH3COO(1-); In N,N-dimethyl-formamide; at 80 ℃; for 2h; under 3040 Torr; other catalyst: RuO₂*nH₂O;

DOI:10.1080/00397919608003694

Reference yield: 47.1%

1,7-dibromoheptane (4549-31-9) → thiacyclooctane (6572-99-2)

Guidance literature:

With sodium sulfide; In ethanol; for 12h; Ambient temperature;

Reference yield: 22.0%

1,7-dibromoheptane (4549-31-9) → thiacyclooctane (6572-99-2) + 1,9-dithia-cyclohexadecane (295-80-7)

Guidance literature:

With hexamethyldisilathiane; methyllithium; In tetrahydrofuran; for 6h; Heating;

DOI:10.1021/jo00224a066

upstream raw materials:

1,7-dibromoheptane

thiacyclo-oct-4-ene

1,6-heptadiene

6-heptenyl thioacetate