[(1,3-Benzoxazol-2-yl)sulfanyl]acetate

Base Information

• Chemical Name: [(1,3-Benzoxazol-2-yl)sulfanyl]acetate
• CAS No.: 58089-32-0
• Molecular Formula: C9H7NO3S
• Molecular Weight: 209.225
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70973671
• Wikidata: Q82957669
• Mol file: 58089-32-0.mol

Synonyms:DTXSID70973671;AKOS000599939;[(1,3-Benzoxazol-2-yl)sulfanyl]acetate

Chemical Property of [(1,3-Benzoxazol-2-yl)sulfanyl]acetate

Chemical Property:

• Vapor Pressure: 4.28E-07mmHg at 25°C
• Boiling Point: 399.4 °C at 760 mmHg
• Flash Point: 195.3 °C
• PSA: 88.63000
• Density: 1.48 g/cm³
• LogP: 2.00450
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 208.00683923
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

97% ^*data from raw suppliers

(1,3-Benzoxazol-2-ylthio)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)SCC(=O)[O-]

Technology Process of [(1,3-Benzoxazol-2-yl)sulfanyl]acetate

There total 6 articles about [(1,3-Benzoxazol-2-yl)sulfanyl]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: 77.0%

chloroacetic acid (79-11-8) + 2-sulfanyl-1,3-benzoxazole (2382-96-9,118090-08-7) → 2-(benzo[d]oxazol-2-ylthio)acetic acid (58089-32-0)

Guidance literature:

With sodium hydroxide; In water; at 90 ℃; for 2h;

DOI:10.1007/BF02218873

Reference yield:

2-mercaptobenzoxazole sodium salt (15091-70-0) → 2-(benzo[d]oxazol-2-ylthio)acetic acid (58089-32-0)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide / 3 h / Heating

2: OH-

With hydroxide; In N,N-dimethyl-formamide;

Reference yield:

2-amino-phenol (95-55-6) → 2-(benzo[d]oxazol-2-ylthio)acetic acid (58089-32-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / ethanol / 1 h

2: potassium carbonate; tetrabutylammomium bromide / N,N-dimethyl-formamide / 1 h / 20 °C

With tetrabutylammomium bromide; potassium carbonate; potassium hydroxide; In ethanol; N,N-dimethyl-formamide;

DOI:10.1080/10426507.2015.1025905

upstream raw materials:

benzo[d]oxazole-2-(3H)-thione

sodium monochloroacetic acid

chloroacetic acid

2-sulfanyl-1,3-benzoxazole

Downstream raw materials:

2-(Benzooxazol-2-ylsulfanyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-acetamide

2-(benzo[d]oxazol-2-ylthio)-N-(naphthalen-1-yl)acetamide

2-(Benzooxazol-2-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide

2-(benzo[d]oxazol-2-ylthio)-N-phenylacetamide