3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE

• CAT Number: M101358
• CAS Number: 156963-66-5
• Molecular Formula: C22H19ClO4S2
• Molecular Weight: 446.96
• Purity: ≥95%
• Target: HPPD
• Storage: Desiccate at RT
• IUPAC Name: 3-(2-chloro-4-methylsulfonylbenzoyl)-2-phenylsulfanylbicyclo[3.2.1]oct-2-en-4-one
• InChI: InChI=1S/C22H19ClO4S2/c1-29(26,27)16-9-10-17(18(23)12-16)21(25)19-20(24)13-7-8-14(11-13)22(19)28-15-5-3-2-4-6-15/h2-6,9-10,12-14H,7-8,11H2,1H3
• InChIKey: VIXCLRUCUMWJFF-UHFFFAOYSA-N
• SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(C3CCC(C3)C2=O)SC4=CC=CC=C4)Cl

3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE (CAS 156963-66-5) is a pro-herbicide used against resistant weeds in California rice fields.

Reference

1.Im, So Jeong, et al. "Analysis of benzobicyclon and its metabolite in brown rice and rice straw after field application using liquid chromatography–tandem mass spectrometry." Food chemistry 168 (2015): 404-409.
2.Sun, Qianqian, et al. "Residue Analysis of Benzobicyclon in Soil and Sediment Samples by Ultra High-Performance Liquid Chromatography-Tandem Mass Spectrometry." Journal of AOAC International 99.6 (2016): 1628-1635.
3.Williams, Katryn L., and Ronald S. Tjeerdema. "Hydrolytic activation kinetics of the herbicide benzobicyclon in simulated aquatic systems." Journal of agricultural and food chemistry 64.24 (2016): 4838-4844.