58749-51-2 Usage
General Description
2-(Thien-2-yl)ethyl isocyanate is a chemical compound that belongs to the family of Isothiocyanates. These are composed of isocyanate functional group (N=C=O) and a 2-(thien-2-yl)ethyl group. It is primarily used in industrial settings, often as a reagent in the synthesis of various organic compounds. Its isocyanate group makes it potentially toxic, requiring careful handling to prevent eye and skin contact, or inhalation. This chemical does not exist naturally and must be produced synthetically, often through routes involving hazardous chemical reactions. Its exact physical and chemical properties, such as boiling/melting points or solubility, may vary depending on factors like purity and environmental conditions.
Check Digit Verification of cas no
The CAS Registry Mumber 58749-51-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,8,7,4 and 9 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 58749-51:
(7*5)+(6*8)+(5*7)+(4*4)+(3*9)+(2*5)+(1*1)=172
172 % 10 = 2
So 58749-51-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H7NOS/c9-6-8-4-3-7-2-1-5-10-7/h1-2,5H,3-4H2
58749-51-2Relevant articles and documents
In-flow photooxygenation of aminothienopyridinones generates iminopyridinedione PTP4A3 phosphatase inhibitors
Tasker, Nikhil R.,Rastelli, Ettore J.,Blanco, Isabella K.,Burnett, James C.,Sharlow, Elizabeth R.,Lazo, John S.,Wipf, Peter
supporting information, p. 2448 - 2466 (2019/03/06)
A continuous flow photooxygenation of 7-aminothieno[3,2-c]pyridin-4(5H)-ones to produce 7-iminothieno[3,2-c]pyridine-4,6(5H,7H)-diones has been developed, utilizing ambient air as the sole reactant. N-H Imines are formed as the major products, and excellent functional group tolerance and conversion on gram-scale without the need for chromatographic purification allow for facile late-stage diversification of the aminothienopyridinone scaffold. Several analogs exhibit potent in vitro inhibition of the cancer-associated protein tyrosine phosphatase PTP4A3, and the SAR supports an exploratory docking model.
