2-Thioxo-2,3-dihydro-1,3-benzoxazole-5-carbonitrile

Base Information

• Chemical Name: 2-Thioxo-2,3-dihydro-1,3-benzoxazole-5-carbonitrile
• CAS No.: 93794-41-3
• Molecular Formula: C8H4N2OS
• Molecular Weight: 176.19500
• Hs Code.: 2934999090
• Mol file: 93794-41-3.mol

Synonyms:2-thioxo-2,3-dihydrobenzooxazole-5-carbonitrile;2-Thioxo-2,3-dihydro-benzooxazole-5-carbonitrile;

Chemical Property of 2-Thioxo-2,3-dihydro-1,3-benzoxazole-5-carbonitrile

Chemical Property:

• Melting Point: 265 - 268 °C
• PSA: 84.81000
• LogP: 2.36208

Purity/Quality:

99%, ^*data from raw suppliers

2-Thioxo-2,3-dihydro-1,3-benzoxazole-5-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-Thioxo-2,3-dihydro-1,3-benzoxazole-5-carbonitrile

There total 6 articles about 2-Thioxo-2,3-dihydro-1,3-benzoxazole-5-carbonitrile 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: 86.0%

3-amino-4-hydroxybenzonitrile (14543-43-2) + potassium ethyl xanthogenate (140-89-6) → 5-cyanobenzo[d]oxazole-2-(3H)-thiazone (93794-41-3)

Guidance literature:

With pyridine; for 2h; Heating;

DOI:10.1021/jo952101z

Reference yield: 65.0%

→ 2-mercaptobenzo[d]oxazole-5-carbonitrile (93794-41-3)

Guidance literature:

With potassium hydroxide; In ethanol; at 90 ℃;

Reference yield:

4-hydroxy-3-nitrobenzonitrile (3272-08-0) → 5-cyanobenzo[d]oxazole-2-(3H)-thiazone (93794-41-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / hydrogen / palladium on charcoal / ethanol; ethyl acetate / Ambient temperature

2: 86 percent / pyridine / 2 h / Heating

With pyridine; hydrogen; palladium on activated charcoal; In ethanol; ethyl acetate;

DOI:10.1021/jo952101z

upstream raw materials:

3-amino-4-hydroxybenzonitrile

potassium ethyl xanthogenate

carbon disulfide

4-hydroxy-3-nitrobenzonitrile

Downstream raw materials:

2-chloro-5-cyanobenzo[d]oxazole

C₂₁H₂₆N₄O₃

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