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About This Item
Empirical Formula (Hill Notation):
C9H6N2S
CAS Number:
Molecular Weight:
174.22
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
98%
mp
98-101 °C (lit.)
SMILES string
N#CCc1nc2ccccc2s1
InChI
1S/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2
InChI key
ZMZSYUSDGRJZNT-UHFFFAOYSA-N
Application
2-Benzothiazoleacetonitrile may be used for the preparation of 3-aryl-1-[(E)-cyanomethylidene]-1H-pyrido[2,1-b]benzothiazole-4-carbonitriles, via reaction with with 6-aryl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile. It may be employed in the preparation of pyrrolones, which can be used for the synthesis of 1-acyl-3-aryl-3H-pyrrolo[2′,3′:4,5]pyrimido[6,1-b]benzothiazol-6-ium-2-olates.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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An interaction of 2-thiazoleacetonitriles with N-(2-chloroacetyl) anthranilic acid ester.
Resnyanska EV, et al.
Heterocycles, 63(4), 797-807 (2004)
Carbanion induced synthesis of pyrido [2, 1-b] benzothiazoles through ring transformation reactions.
Ram VJ, et al.
J. Chem. Res. (M), 2001(10), 421-423 (2001)
Synthesis of pyrrolo [2, 3-c] 2, 7-naphthyridine derivatives by cascade heterocyclization reaction of 2-amino-4-cyanomethyl-6-dialkylamino-3, 5-pyridinedicarbonitriles.
Tverdokhlebov AV, et al.
Tetrahedron, 60(27), 5777-5783 (2004)
A simple synthesis of 1-acyl-3-aryl-3H-pyrrolo [2', 3': 4, 5] pyrimido [6, 1-b] benzothiazol-6-ium-2-olates: Betainic derivatives of a novel heterocyclic system.
Resnyanskaya EV, et al.
Synthesis, 18, 2717-2724 (2002)
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