Thiocyanic acid, 2-benzoxazolyl ester

Base Information

• Chemical Name: Thiocyanic acid, 2-benzoxazolyl ester
• CAS No.: 5285-95-0
• Molecular Formula: C8H4N2OS
• Molecular Weight: 176.199
• DSSTox Substance ID: DTXSID80446765
• Wikidata: Q82265488
• Mol file: 5285-95-0.mol

Synonyms:Thiocyanic acid, 2-benzoxazolyl ester;5285-95-0;SCHEMBL10533366;DTXSID80446765

Chemical Property of Thiocyanic acid, 2-benzoxazolyl ester

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 176.00443393
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)SC#N

Technology Process of Thiocyanic acid, 2-benzoxazolyl ester

There total 3 articles about Thiocyanic acid, 2-benzoxazolyl ester 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:

benzo[d]oxazole-2-(3H)-thione (2382-96-9) + 2-cyanato-acetophenone (1128-22-9) → 2-thiocyanato-benzooxazole (5285-95-0) + o-hydroxyacetophenone (118-93-4,104809-67-8)

Guidance literature:

With triethylamine; In acetone; for 5h; Heating;

Reference yield:

benzo[d]oxazole-2-(3H)-thione (2382-96-9) + 4-methoxyphenyl cyanate (2983-74-6) → 2-thiocyanato-benzooxazole (5285-95-0) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0)

Guidance literature:

With triethylamine; In acetone; for 5h; Heating;

Reference yield:

benzo[d]oxazole-2-(3H)-thione (2382-96-9) + 2-Formylphenylcyanat (90430-51-6) → 2-thiocyanato-benzooxazole (5285-95-0) + salicylaldehyde (90-02-8)

Guidance literature:

With triethylamine; In acetone; for 5h; Heating;

upstream raw materials:

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

2-cyanato-acetophenone

4-methoxyphenyl cyanate

2-Formylphenylcyanat

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