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α-Allyl-α-(p-methylbenzoyl)dithioacetate is a complex organic chemical compound with the molecular formula C13H14O2S2. It is a colorless to pale yellow liquid with a pungent odor. α-allyl-α-(p-methylbenzoyl)dithioacetate is characterized by the presence of an allyl group (CH2=CHCH2-), a p-methylbenzoyl group (-C6H4-CH3), and two dithioacetal functional groups. It is synthesized through the reaction of allyl bromide with p-methylbenzoyl chloride in the presence of a base, followed by the addition of hydrogen sulfide. α-Allyl-α-(p-methylbenzoyl)dithioacetate is used as a synthetic intermediate in the preparation of various pharmaceuticals, agrochemicals, and other specialty chemicals. Its unique structure allows for a wide range of applications, including the synthesis of chiral ligands and catalysts in asymmetric reactions.

97510-23-1

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97510-23-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 97510-23-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,7,5,1 and 0 respectively; the second part has 2 digits, 2 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 97510-23:
(7*9)+(6*7)+(5*5)+(4*1)+(3*0)+(2*2)+(1*3)=141
141 % 10 = 1
So 97510-23-1 is a valid CAS Registry Number.

97510-23-1Relevant academic research and scientific papers

Indium(0)-mediated Csp 3-S/O cross-coupling approach towards the regioselective alkylation of α-enolic esters/dithioesters: A mechanistic Insight

Chowdhury, Sushobhan,Chanda, Tanmoy,Gupta, Ashutosh,Koley, Suvajit,Ramulu, B. Janaki,Jones, Raymond C. F.,Singh, Maya Shankar

, p. 2964 - 2971 (2014)

We have reported an indium(0)-mediated Csp3-S/O cross-coupling approach that leads to the highly regioselective alkylation of α-enolic acetate/dithioacetate systems. This hetero cross-coupling reaction does not require additional co-catalyst or promoter, and the in situ generated organoindium species promotes the reaction by acting as the coupling partner of the α-enolic acetate/dithioacetate substrates. The excellent selectivity for C-, S-, or O-alkylation is solely dependent on the nucleophilic behavior of α-enolic acetate/dithioacetate systems. These results were further supported by DFT calculations of the relative electronic energies of the substrates and products as well as the activation barriers of the respective transformations.

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