Location:Home > Faculty > Faculty and Staff
Faculty and Staff
Faculty and Staff
Dai Huixiong

Principal Investigator
Academic title:
Personal Website:
Postal Code:
Mailing Address:
555 Zu Chong Zhi Road , Zhang Jiang Hi-Tech Park, Pudong, Shanghai

Huixiong Dai, Ph.D., Principal investigator of Shanghai Institute of Materia Medica, Chinese Academy of Sciences. Dr. Dai received his BSc in chemistry from Nanchang University in 2001, and his MSc from Nankai University in 2004. After he obtained his PhD at Shanghai Institute of Organic Chemistry (SIOC) under the supervision of Prof. Xiyan Lu in 2007, he joined the laboratory of Prof. H. V. Rasika Dias at The University of Texas at Arlington as a postdoctoral fellow, and in 2009, he moved to Prof. Jin-Quan Yu’s group at the Scripps Research Institute as a research associate. In 2012, he joined SIOC as an associated professor. Since March 2016, Dr. Dai has worked at Shanghai Institute of Materia Medica, Chinese Academy of Sciences. His current research interest is mainly focused on the studying on the transition-metal-catalyzed C–H and C–C bond activation reactions and their applications in medicinal chemistry.


Sept.2004–July 2007 Ph.D. in Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences

Sept.2001–July 2004 M.S. degree in Organic Chemistry, Department of Chemistry, Nankai University

Sept.1997–July 2001 B.S. degree in Department of Chemistry, Nanchang University


March 2016–Present Professor in Shanghai Institute of Materia Medica, CAS.

July 2012–February 2016 Associate Professor in Shanghai Institute Organic Chemistry, CAS.

Dec.2009–July 2012 Research Associate in The Scripps Research Institute, USANov. 2007–Dec.2009 Postdoctoral Associate in The University of Texas at Arlington, USA.

Research Directions

The studying on the transition-metal-catalyzed C–H and C–C bond activation reactions and their applications in medicinal chemistry.

Social Titles

Awards & Honors

2014,Member of Youth Innovation Promotion Association,CAS
Lu Jiaxi Young Researcher Award from the Chinese Academy of Sciences
2015,Thieme Chemistry Journals Award, 2015


1.Development of a series of C–H activation reactions to form new C–C, CF3–C, N–C, O–C, B–C bond based on the Pd, Ru and Cu as catalyst.

2.Design of two kinds of novel directing groups: sulfonamide and amide-oxazolines.

3.Development of a robust and synthetically useful method that overcomes the complications associated with performing C–H functionalization reactions on heterocycles. Our approach employs a simple N-methoxy amide group, which serves as both a directing group and an anionic ligand that promotes the in situ generation of the reactive PdX2 (X=ArCONOMe) species from a Pd(0) source using air as the sole oxidant. In this way, the PdX2species is localized near the target C–H bond, avoiding interference from any nitrogen or sulphur atoms present in the heterocyclic substrates. This reaction overrides the conventional positional selectivity patterns observed with substrates containing strongly coordinating heteroatoms, including nitrogen, sulphur and phosphorus. Thus, this operationally simple aerobic reaction demonstrates that it is possible to bypass a fundamental limitation that has long plagued applications of directed C–H activation in medicinal chemistry.

4.Successfully applied these developed C–H activation reactions into the structural modification of two kinds of drug molecules Celecoxib and Clofibrate.

Grants & Research Projects

1.National Science Fund of China 2147221、2015/01-2018/12, Project Leader

2.Technology Foundation for Selected Overseas Chinese Scholar, Ministry of Personnel of China, 2014/09-2015/09、Project Leader

3.Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry, 2014/01-2016/12、Project Leader

4.Youth Innovation Promotion Association,CAS, 2014/01-2017/12、Project Leader


1.Hanyuan Li, Biao Ma, Qi-Sheng Liu, Mei-Ling Wang, Zhen-Yu Wang, Hui Xu, Ling-Jun Li, Xing Wang, Hui-Xiong Dai*. Transformations of Aryl Ketones via Ligand Promoted C–C Bond Activation. Angew. Chem. Int. Ed., 2020, DOI: 10.1002/anie.202006740. 

2.Peng Wu, Tai-Jin Cheng, Hai-Xia Lin, Hui Xu, Hui-Xiong Dai*. Copper-Mediated C-H Thiolation of (Hetero)Arenes Using Weakly Coordinating Directing Group. Tetrahedron Lett. 2020, DOI:10.1016/j.tetlet.2020.152062. 

3.Ya-Fang Cao, Ling-Jun Li, Min Liu, Hui Xu,* Hui-Xiong Dai*. Palladium-Catalyzed, Copper(I)-Promoted Methoxycarbonylation of Arylboronic Acids with O Methyl S Aryl Thiocarbonates. J. Org. Chem. 2020, 85, 4475-4481. 

4.Xing Yi, Ya-Fang Cao, Xing Wang, Hui Xu*, Shu-Rong Ban*, Hui-Xiong Dai*. Palladium-catalyzed fluoroacylation of (Hetero)arylboronic acid with fluorothioacetates at ambient temperature. Tetrahedron Lett. 2020, 61, 151780. 

5.Min Liu, Ling-Jun Li, Jun Zhang, Hui Xu*, Hui-Xiong Dai*. Palladium-catalyzed meta-CH bond iodination of arenes with I2. Chinese Chemical Letters, 2020, 31, 1301–1304. 

6.Shang-Zheng Sun, Ming Shang, Hui Xu, Ming-Hong Li, Tai-Jin Cheng, Hui-Xiong Dai *. Copper Mediated C(sp2)–H Amination and Hydroxylation of Phosphinamides. Chem. Common. 2020, 56, 1444-1447. 

7.Biao Ma, Peng Wu, Xing Wang, Zhengyu Wang, Hai-Xia Lin, and Hui-Xiong Dai*. Efficient Synthesis of Spirooxindole Pyrrolones by a Rhodium(III)-Catalyzed C-H Activation/Carbene Insertion/Lossen Rearrangement Sequence. Angew. Chem. Int. Ed. 2019, 58, 13335 –13339. 

8.Xing Wang,Xing Yi,Hui Xu,Hui-Xiong Dai*. Cu-Mediated C-H Thioetherification of Arenes at Room Temperature. Org. Lett. 2019, 21, 5981-5985. 

9.Shang-Zheng Sun, Hui Xu, Hui-Xiong Dai*. “Copper-catalyzed α-selective C–H trifluoromethylation of acrylamides with TMSCF3. Chinese Chemical Letters, 2019, 30, 969–972. 

10.Min Liu, Yu-Wen Liu, Hui Xu* and Hui-Xiong Dai*. Palladium-catalyzed Intramolecular C–H Acylation of Indoles with Thioester. Tetrahedron Lett. 2019, 60, 151061. 

11.Hui Xu, Min Liu, Ling-Jun Li. Ya-Fang Cao, Jin-Quan Yu*, Hui-Xiong Dai*. Palladium-Catalyzed Remote meta-C–H Bond Deuteration of Arenes Using a Pyridine Template. Org. Lett. 2019, 21, 4887-4891. 

12.Minghong Li, Ming Shang, Hui Xu, Xing Wang, Hui-Xiong Dai*, Jin-Quan Yu*, “Remote Para-C–H Acetoxylation of Electron-Deficient Arenes. Org. Lett., 2019, 21, 540–544. 

13.Lin-Lin Xu, Xing Wang, Biao Ma, Ming-Xing Yin, Hai-Xia Lin, Hui-Xiong Dai*, Jin-Quan Yu. Copper mediated C–H amination with oximes: en route to primary anilines. Chem. Sci., 2018, 9, 5160-5164. 

14.Lin-Lin Xu, Hui Xu, Haixia Lin*, Huixiong Dai*, Progress in the Synthesis of Primary Anilines via C—H Bond Functionalization. Chin. J. Org. Chem. 2018, 38, 1940-1948 (in Chinese). 

15.Wei-Jun Kong, Qian Shao, Ming-Hong Li, Zeng-Le Zhou, Hui Xu, Hui-Xiong Dai*, Jin-Quan Yu*, “Copper-Mediated Diastereoselective C–H Thiolation of Ferrocenes. Organometallics, 2018, 37, 2832–2836. 

16.Wei-Jun Kong, Xingrong Chen, Mingming Wang, Hui-Xiong Dai*, Jin-Quan Yu*, Rapid Syntheses of Heteroaryl-Substituted Imidazo[1,5 a]indole and Pyrrolo[1,2 c]imidazole via Aerobic C2-H Functionalizations. Org. Lett. 2018, 20, 284-287. 

17.Ming-Zhu Lu, Xing-Rong Chen, Hui Xu, Hui-Xiong Dai*, Jin-Quan Yu* Ligand-enabled ortho-C–H olefination of phenylacetic amides with unactivated alkenes. Chem. Sci., 2018, 9, 1311-1316. 

18.Ming Shang, Qian Shao, Shang-Zheng Sun, Yan-Qiao Chen, Hui Xu, Hui-Xiong Dai*, Jin-Quan Yu*. Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C–H hydroxylation and amination.Chem. Sci., 2017, 8, 1469-1473. 

19.Ming Shang, Ming-Ming Wang, Tyler G. Saint-Denis, Ming-Hong Li, Hui-Xiong Dai*, Jin-Quan Yu*. Copper-Mediated Late-Stage Functionalization of HeterocycleContaining Molecules. Angew. Chem. Int. Ed. 2017, 56, 5317–5321. 

20.Ming Shang, Shang-Zheng Sun, Hong-Li Wang, Ming-Ming Wang, Hui-Xiong Dai*.  Recent Progress on Copper-Mediated Directing-Group-Assisted C(sp2)–H Activation. Synthesis 2016, 48, 4381–4399. 

21.Wei-Jun Kong, Yue-Jin Liu, Hui Xu, Yan-Qiao Chen, Hui-Xiong Dai*, Jin-Quan Yu*. Pd-Catalyzed α?Selective C-H Functionalization of Olefins: En Route to 4-Imino-β-Lactams. J. Am. Chem. Soc. 2016, 138, 2146-2149. 

22.Jian He, Heng Jiang, Ryosuke Takise, Ru-Yi Zhu, Gang Chen, Hui-Xiong Dai, T. G. Murali Dhar, Jun Shi, Hao Zhang, Peter T. W. Cheng, and Jin-Quan Yu*  Ligand-Promoted Borylation of C(sp3)-H Bonds with Palladium(II) Catalysts. Angew.Chem. Int. Ed. 2016, 55, 785–789 

23.Mingming Wang, Zixiao Wang, Ming Shang, Huixiong Dai*.  Transition-Metal-Catalyzed C–H Alkynylation Chin. J. Org. Chem. 2015, 35, 570-577 (in Chinese). 

24.Shang-Zheng Sun, Ming Shang, Hong-Li Wang, Hai-Xia Lin*, Hui-Xiong Dai*, Jin-Quan Yu*. Cu(II)-Mediated C(sp2 )-H Hydroxylation. J. Org. Chem. 2015, 80, 8843?8848 

25.Hui Xu, Ming Shang, Hui-Xiong Dai*, Jin-Quan Yu* “Ligand-Controlled Para-Selective C–H Arylation of Monosubstituted Arenes”. Org. Lett. 2015, 17, 3830?3833. 

26.Hong-Li Wang, Ming Shang, Shang-Zheng Sun, Zeng-Le Zhou, Brian N. Laforteza, Hui-Xiong Dai*, Jin-Quan Yu*. “Cu(II)-Catalyzed Coupling of Aromatic C–H Bonds with Malonates”. Org. Lett. 2015, 17, 1228-1231. 

27.Yue-Jin Liu, Hui Xu, Wei-Jun Kong, Ming Shang, Hui-Xiong Dai*, Jin-Quan Yu* “Overcoming the limitations of directed C–H functionalizations of heterocycle.s”. Nature, 2014, 515, 389–393. 

28.Ming Shang, Shang-Zheng Sun, Hui-Xiong Dai*, Jin-Quan Yu* “Cu(OAc)2-Catalyzed Coupling of Aromatic C–H Bonds with Arylboron Reagents”. Org. Lett. 2014, 16, 5666-5669. 

29.Ming Shang, Shang-Zheng Sun, Hong-Li Wang, Brian N. Laforteza, Hui-Xiong Dai*, Jin-Quan Yu*. ”Exceedingly Fast Copper(II)-Promoted ortho C-H Trifluoromethylation of Arenes using TMSCF3”. Angew. Chem. Int. Ed. 2014, 53, 10439–10442. 

30.Ming Shang, Hong-Li Wang, Shang-Zheng Sun, Hui-Xiong Dai*, Jin-Quan Yu* “Cu(II)-Mediated Ortho C–H Alkynylation of (Hetero)Arenes with Terminal Alkynes”. J. Am. Chem. Soc. 2014, 136, 11590–11593. 

31.Ming Shang, Shang-Zheng Sun, Hui-Xiong Dai*, Jin-Quan Yu*. “Cu(II)-Mediated C–H Amidation and Amination of Arenes: Exceptional Compatibility with Heterocycles”. J. Am. Chem. Soc. 2014, 136, 3354–3357. 

32.Ming Shang, Shao-Hang Zeng, Shang-Zheng Sun, Hui-Xiong Dai*, Jin-Quan Yu*. “Ru(II)-Catalyzed ortho-C–H Amination of Arenes and Heteroarenes at Room Temperature”. Org. Lett. 2013, 15, 5286-5289. 

33.Hui-Xiong Dai, Gang Li, Xing-Guo Zhang, Antonia F. Stepan, Jin-Quan Yu*. ” Pd(II)-Catalyzed ortho- or meta-C–H Olefination of Phenol Derivatives”. J. Am. Chem. Soc. 2013, 135, 7567–7571. 

34.Hui-Xiong Dai, Jin-Quan Yu*. “Pd-Catalyzed Oxidative ortho-C–H Borylation of Arenes”. J. Am. Chem.Soc. 2012, 134, 134–137. 

35.Xing-Guo Zhang, Hui-Xiong Dai, Masayuki Wasa, Jin-Quan Yu*. “Pd(II)-Catalyzed Ortho Trifluoromethylation of Arenes and Insights into the Coordination Mode of Acidic Amide Directing Groups”. J. Am. Chem. Soc. 2012, 134, 11948–11951. 

36.Hui-Xiong Dai, Antonia F. Stepan, Mark S. Plummer, Yang-Hui Zhang, Jin-Quan Yu*. “Divergent C–H Functionalizations Directed by Sulfonamide Pharmacophores: Late-Stage Diversification as a Tool for Drug Discovery”. J. Am. Chem. Soc. 2011, 133, 7222–7228. 

37.Xisheng Wang, Yi Lu, Hui-Xiong Dai, Jin-Quan Yu*. “Pd(II)-Catalyzed Hydroxyl-Directed C?H Activation/C?O Cyclization: Expedient Construction of Dihydrobenzofurans”. J. Am. Chem. Soc. 2010, 132, 12203-12205. 

38.Huixiong Dai, xiyan Lu*“Palladium(II)/2,2'-bipyridine-catalyzed addition of arylboronic acids to N-tosyl-arylaldimines”Tetrahedron Lett. 2009, 50, 3478. 

39.Mauro Fianchini, Huixiong Dai, H. V. Rasika Dias*, “Organometallic Wheels Based on Coinage Metal Ions and Norbornene: Syntheses and Structural Characterization of [M(norbornene)3] [SbF6] (M = Au, Ag, Cu)” Chem.Common. 2009, 42, 6373. 

40.Huixiong Dai, Miao Yang and xiyan Lu* “Palladium(II)-Catalyzed One-pot Enantioselective Synthesis of Arylglycine Derivatives from Ethyl Glyoxylate p-Toluenesulfonyl Isocyanate and Arylboronic Acids,Adv. Synth. Cat. 2008, 350, 249. 

41.Huixiong Dai, xiyan Lu*,“Diastereoselective Synthesis of Arylglycine Derivatives by Cationic Palladium(II)-Catalyzed Addition of Arylboronic Acids to N-tert-Butanesulfinyl Imino Esters”Org. Lett. 2007, 9, 3077.