2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide

Base Information

• Chemical Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide
• CAS No.: 86109-43-5
• Molecular Formula: C₁₅H₁₂N₂O₂S
• Molecular Weight: 284.338
• DSSTox Substance ID: DTXSID40350753
• Wikidata: Q82126849
• ChEMBL ID: CHEMBL1409084
• Mol file: 86109-43-5.mol

Synonyms:86109-43-5;2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide;CBMicro_018650;Acetamide, 2-(2-benzoxazolylthio)-N-phenyl-;2-(Benzo[d]oxazol-2-ylthio)-N-phenylacetamide;Cambridge id 5344655;Oprea1_266652;Oprea1_320948;MLS000106252;CHEMBL1409084;SCHEMBL12487254;DTXSID40350753;HMS1735E18;HMS2460H17;CCG-6775;STK280517;AKOS000621488;WAY-297587;NCGC00074915-03;SMR000103221;BIM-0018652.P001;2-(1,3-benzoxazol-2-ylthio)-N-phenylacetamide;AB00428382-10;Z19652196;2-(1,3-BENZOXAZOL-2-YLSULFANYL)-N~1~-PHENYLACETAMIDE

Chemical Property of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide

Chemical Property:

• PSA: 83.92000
• LogP: 4.20810
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 284.06194880
• Heavy Atom Count: 20
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3O2

Technology Process of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide

There total 3 articles about 2-(1,3-benzoxazol-2-ylsulfanyl)-N-phenylacetamide 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:

2-sulfanyl-1,3-benzoxazole (2382-96-9,118090-08-7) → 2-(benzo[d]oxazol-2-ylthio)-N-phenylacetamide (86109-43-5)

Guidance literature:

Multi-step reaction with 2 steps

1: alkaline medium

2: N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline (EEDQ) / dimethylformamide / 24 h / Ambient temperature

With alkaline medium; N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; In N,N-dimethyl-formamide;

Reference yield:

2-(benzo[d]oxazol-2-ylthio)acetic acid (58089-32-0) + aniline (62-53-3) → 2-(benzo[d]oxazol-2-ylthio)-N-phenylacetamide (86109-43-5)

Guidance literature:

With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; In N,N-dimethyl-formamide; for 24h; Yield given; Ambient temperature;

Reference yield:

N-chloroacetyl-aniline (587-65-5) + 2-sulfanyl-1,3-benzoxazole (2382-96-9,118090-08-7) → 2-(benzo[d]oxazol-2-ylthio)-N-phenylacetamide (86109-43-5)

Guidance literature:

With potassium hydroxide; In ethanol; for 0.333333h; Yield given; Heating;

upstream raw materials:

2-(benzo[d]oxazol-2-ylthio)acetic acid

aniline

N-chloroacetyl-aniline

2-sulfanyl-1,3-benzoxazole