61516-68-5 Usage
Description
(2-oxo-1,3-benzothiazol-3(2H)-yl)acetonitrile is a chemical compound with the molecular formula C9H5N3OS. It is a derivative of benzothiazole, a heterocyclic compound containing both sulfur and nitrogen atoms. (2-oxo-1,3-benzothiazol-3(2H)-yl)acetonitrile is known for its versatile chemical structure and reactivity, which makes it a valuable building block in the synthesis of pharmaceuticals and agrochemicals. The presence of a nitrile group in the molecule further enhances its potential as a precursor for the synthesis of various organic compounds. Additionally, (2-oxo-1,3-benzothiazol-3(2H)-yl)acetonitrile may also possess biological activity, making it a subject of interest in medicinal chemistry for its potential therapeutic properties.
Uses
Used in Pharmaceutical Industry:
(2-oxo-1,3-benzothiazol-3(2H)-yl)acetonitrile is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure and reactivity allow for the development of new drugs with improved efficacy and selectivity.
Used in Agrochemical Industry:
In the agrochemical industry, (2-oxo-1,3-benzothiazol-3(2H)-yl)acetonitrile serves as a building block for the creation of novel agrochemicals. Its versatile chemical properties enable the design of new compounds with enhanced pesticidal or herbicidal activities.
Used in Organic Synthesis:
(2-oxo-1,3-benzothiazol-3(2H)-yl)acetonitrile is used as a precursor in the synthesis of complex organic molecules. Its presence of a nitrile group makes it a valuable starting material for the preparation of a wide range of organic compounds.
Used in Medicinal Chemistry Research:
(2-oxo-1,3-benzothiazol-3(2H)-yl)acetonitrile is utilized in medicinal chemistry research to explore its potential therapeutic properties. Its biological activity is of interest to scientists working on the development of new treatments for various diseases and conditions.
Check Digit Verification of cas no
The CAS Registry Mumber 61516-68-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,1,5,1 and 6 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 61516-68:
(7*6)+(6*1)+(5*5)+(4*1)+(3*6)+(2*6)+(1*8)=115
115 % 10 = 5
So 61516-68-5 is a valid CAS Registry Number.
61516-68-5Relevant articles and documents
Derivatives of 2-Oxo-3(2)-Benzothiazolineacetonitrile and Related Compounds. I. Synthesis of N-Hydroxy-2-oxo or Thioxo-3(2H)-Benzothiazolineethanimidamide and Related Products
D'Amico, John J.,Marvel, John T.,Bollinger, Frederic G.
, p. 1375 - 1378 (2007/10/02)
The following methods afforded the titled acetonitriles 1-5 in excelent yields:(1) the reaction of the appropriate 2-benzothiazolinones with chloroacetonitrile under basic conditions and (2) the dehydration of the appropriate 2-oxo-3(2H)-benzothiazolineacetamides with phosphorus oxychloride or pentoxide.The reaction of the acetonitriles 1-5 and 2-thioxo-3(2H)-benzothiazolineacetonitrile with hydroxylamine afforded the titled compounds 6-11.Supporting nmr and mass spectral data are discussed.
Synthesis of 2-Thioxo-3-benzothiazolineacetonitrile and Related Products
D'Amico, John J.,Suba, Lydia,Ruminski, Peter G.
, p. 1479 - 1482 (2007/10/02)
Attempts to thermally rearrange 2-benzothiazolylthioacetonitrile (1) to the titled compound 8 failed.The reaction of 3-chloromethyl-2-benzothiazolinethione with potassium cyanide in dimethylformamide (DMF) or dimethylsulfoxide (DMSO) at 25-30 deg C afforded 8 in 98percent yield.Whereas replacing the DMF or DMSO solvent with acetone furnished the unexpected sulfide 9 in 92percent yield.Substituting 3-chloromethyl-2-benzoxazolinethione as the electrophile in the same reaction gave the sulfide 10 in 95percent yield.Possible mechanisms and supporting nmr data are discussed.
Use of 3-substituted benzothiazolines as plant growth regulants
-
, (2008/06/13)
Effective plant growth regulaton is obtained by application to the plant of certain benzothiazoline compounds having the formula SPC1
