62338-21-0

Basic information

• Product Name: 2-Phenyl-2-methylbutanoic acid methyl ester
• Synonyms: 2-Phenyl-2-methylbutanoic acid methyl ester;α-Ethyl-α-methylbenzeneacetic acid methyl ester
• CAS NO: 62338-21-0
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.25
• Mol File: 62338-21-0.mol

Chemical Properties

• Boiling Point: 120-121 °C(Press: 14 Torr)
• Appearance: /
• Density: 0.998±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 2-Phenyl-2-methylbutanoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Phenyl-2-methylbutanoic acid methyl ester(62338-21-0)
• EPA Substance Registry System: 2-Phenyl-2-methylbutanoic acid methyl ester(62338-21-0)

Safety Data

• Hazardous Substances Data: 62338-21-0(Hazardous Substances Data)

Upstream product

• 74-96-4 ethyl bromide 
• 31508-44-8 2-phenylpropionic acid methyl ester 
• 75-03-6 ethyl iodide 
• 98-83-9 isopropenylbenzene 
• 5670-65-5 1-nitro-2-phenylpropene 
• 67-56-1 methanol 
• 2294-71-5 methyl 2-phenylbutanoate 
• 74-88-4 methyl iodide 

Downstream Products

• 1541196-48-8 C₂₅H₃₀N₂O 
• 1541196-41-1 2-methyl-2-phenyl-N-(quinolin-8-yl)butanamide 
• 51018-80-5 2-methyl-2-phenylbutanoic acid 
• 3968-69-2 (+/-)-2-methyl-2-phenyl-butyryl chloride 
• 4370-86-9 2-methyl-2-phenylbutyraldehyde 
• 6006-75-3 (+/-)-2-methyl-2-phenyl-butanol-⁽¹⁾ 

Relevant articles and documents

Autoinductive conversion of α,α-diiodonitroalkanes to amides and esters catalysed by iodine byproducts under O2

Studies to convert nitroalkanes into amides and esters using I2 and O2 revealed in situ-generated iodine species facilitate the homolytic C-I bond cleavage of α,α-diiodonitroalkanes, arguably in an autoinductive or autocatalytic manner. Consequently, we devised a rapid and economical I2/O2-based method to synthesise sterically hindered esters directly from primary nitroalkanes.

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

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.

Br?nsted Acid-Catalyzed Intramolecular Hydroarylation of β-Benzylstyrenes

Using triphenylmethylium tetrakis(pentafluorophenyl)borate as a convenient Br?nsted acid precatalyst, β-(α,α-dimethylbenzyl)styrenes are shown to cyclize efficiently to afford a variety of new indanes that possess a benzylic quaternary center. The geminal dimethyl-containing quaternary center is proposed to be necessary to arm the substrate for cyclization through steric biasing.

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

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.