S-(1-phenyl-1H-tetrazol-5-yl) benzenecarbothioate

Base Information

• Chemical Name: S-(1-phenyl-1H-tetrazol-5-yl) benzenecarbothioate
• CAS No.: 63757-55-1
• Molecular Formula: C14H10 N4 O S
• Molecular Weight: 282.3204

Synonyms:Benzoicacid, thio-, S-1-phenyl-1H-tetrazol-5-yl ester (7CI);1-Phenyl-5-(benzoylthio)tetrazole

Chemical Property of S-(1-phenyl-1H-tetrazol-5-yl) benzenecarbothioate

Chemical Property:

• Vapor Pressure: 1.02E-09mmHg at 25°C
• Boiling Point: 489.1°C at 760 mmHg
• Flash Point: 249.6°C
• Density: 1.34g/cm³

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

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Technology Process of S-(1-phenyl-1H-tetrazol-5-yl) benzenecarbothioate

There total 5 articles about S-(1-phenyl-1H-tetrazol-5-yl) benzenecarbothioate 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: 89.0%

(1,3-dimethyl-1H-imidazol-3-ium-2-yl)(4-phenyl-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl)dihydroborate + benzoyl chloride (98-88-4) → S-(1-phenyl-1H-tetrazol-5-yl)benzothioate (63757-55-1)

Guidance literature:

In acetonitrile; at 80 ℃; for 16h; Sealed tube;

DOI:10.1021/ol5010164

Reference yield: 88.0%

benzoyl chloride (98-88-4) → S-(1-phenyl-1H-tetrazol-5-yl)benzothioate (63757-55-1)

Guidance literature:

In dichloromethane; at 20 ℃; for 24h;

DOI:10.1039/b305341p

Reference yield:

S,S-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate (32276-00-9) + benzoic acid (65-85-0,8013-63-6) → S-(1-phenyl-1H-tetrazol-5-yl)benzothioate (63757-55-1) + Phenyl-(4-phenyl-5-thioxo-4,5-dihydro-tetrazol-1-yl)-methanone

Guidance literature:

In ethyl acetate; at 0 ℃; for 0.5h; Title compound not separated from byproducts;

upstream raw materials:

S,S-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate

benzoic acid

benzoyl chloride

trans-Pd(S[CN₄(C₆H₅)])2(PMe₃)2

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