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(+/-)-2-methyl-2-phenyl-butyryl chloride is a chemical compound with the molecular formula C11H13ClO. It is a racemic mixture, meaning it contains equal amounts of both the R and S enantiomers. This organic compound is a derivative of butyric acid, featuring a methyl group (CH3) and a phenyl group (C6H5) attached to the second carbon atom. The compound is characterized by its chlorinated butyryl group, which gives it reactivity and potential applications in organic synthesis. It is used as an intermediate in the production of pharmaceuticals, agrochemicals, and other specialty chemicals. Due to its chiral nature, it can be resolved into its individual enantiomers for specific applications where stereochemistry is critical.

3968-69-2

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3968-69-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 3968-69-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,9,6 and 8 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 3968-69:
(6*3)+(5*9)+(4*6)+(3*8)+(2*6)+(1*9)=132
132 % 10 = 2
So 3968-69-2 is a valid CAS Registry Number.

3968-69-2Relevant academic research and scientific papers

Nickel-catalysed direct alkylation of thiophenes via double C(sp3)-H/C(sp2)-H bond cleavage: The importance of KH2PO4

Wang, Xie,Xie, Peipei,Qiu, Renhua,Zhu, Longzhi,Liu, Ting,Li, You,Iwasaki, Takanori,Au, Chak-Tong,Xu, Xinhua,Xia, Yuanzhi,Yin, Shuang-Feng,Kambe, Nobuaki

, p. 8316 - 8319 (2017)

A Ni-catalyzed oxidative C-H/C-H cross-dehydrogenative coupling (CDC) reaction was developed for constructing various highly functionalized alkyl (aryl)-substituted thiophenes. This method employs thiophenes and aliphatic (aromatic) amides that contain an 8-aminoquinoline as a removable directing group in the presence of a silver oxidant. The approach enables the facile one-step synthesis of substituted thiophenes with high functional group compatibility via double C-H bond cleavage without affecting C-Br and C-I bonds. DFT calculations verify the importance of KH2PO4 as an additive for promoting C-H bond cleavage and support the involvement of a Ni(iii) species in the reaction.

Nickel-Catalyzed Aminoxylation of Inert Aliphatic C(sp3)-H Bonds with Stable Nitroxyl Radicals under Air: One-Pot Route to α-Formyl Acid Derivatives

Wang, Chunxia,Zhang, Luoqiang,You, Jingsong

supporting information, p. 1690 - 1693 (2017/04/11)

Nickel-catalyzed aminoxylation of an unactivated C(sp3)-H bond with a stable nitroxyl radical has been accomplished for the first time to offer various N-alkoxyamine derivatives, which further enables a one-pot approach to α-formyl acid derivatives. The aminoxylation process reported also provides direct evidence for the oxidative addition of a cyclometallic intermediate with a free radical, which is helpful for the reaction-mechanism study in transition-metal-catalyzed functionalization of inert C(sp3)-H bonds.

Nickel-catalyzed direct thiolation of C(sp3)-H bonds in aliphatic amides

Wang, Xie,Qiu, Renhua,Yan, Chunyang,Reddy, Vutukuri Prakash,Zhu, Longzhi,Xu, Xinhua,Yin, Shuang-Feng

supporting information, p. 1970 - 1973 (2015/04/27)

Nickel-catalyzed thiolation of the inactivated methyl C(sp3)-H bonds of aliphatic amides with disulfide is described. It is a novel strategy for the synthesis of thioethers with the ultimate goal of generating thioether carboxylic acids with various functional groups.

Nickel-catalyzed direct thiolation of unactivated C(sp3)-H bonds with disulfides

Yan, Sheng-Yi,Liu, Yue-Jin,Liu, Bin,Liu, Yan-Hua,Zhang, Zhuo-Zhuo,Shi, Bing-Feng

supporting information, p. 7341 - 7344 (2015/04/27)

The first nickel-catalyzed thiolation of unactivated C(sp3)-H bonds with disulfides was described. This transformation uses (dppp)NiCl2 as a catalyst and BINOL as a ligand, which are efficient for the thiolation of β-methyl C(sp

Nickel-Catalyzed Direct C (sp3)-H Arylation of Aliphatic Amides with Thiophenes

Wang, Xie,Zhu, Longzhi,Chen, Sihai,Xu, Xinhua,Au, Chak-Tong,Qiu, Renhua

supporting information, p. 5228 - 5231 (2015/11/18)

Nickel-catalyzed heteroarylation of the inactive methyl C(sp3)-H bond of aliphatic amide with heteroarenes is described. The method takes advantage of chelation assistance by an 8-aminoquinolinyl moiety. The synthetic reaction has good tolerance toward functional groups, and it can be used in the construction of various kinds of alkyl-substituted heteroarenes.

Nickel-catalyzed site-selective alkylation of unactivated C(sp 3)-H bonds

Wu, Xuesong,Zhao, Yan,Ge, Haibo

supporting information, p. 1789 - 1792 (2014/03/21)

The direct alkylation of unactivated sp3 C-H bonds of aliphatic amides was achieved via nickel catalysis with the assist of a bidentate directing group. The reaction favors the C-H bonds of methyl groups over the methylene C-H bonds and tolerates various functional groups. Moreover, this reaction shows a predominant preference for sp3 C-H bonds of methyl groups via a five-membered ring intermediate over the sp2 C-H bonds of arenes in the cyclometalation step.

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