26466-06-8

Basic information

• Product Name: 2-Butanol, 3-methyl-, 4-methylbenzenesulfonate
• CAS NO: 26466-06-8
• Molecular Formula: C12H18O3S
• Molecular Weight: 242.339
• Mol File: 26466-06-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 2-Butanol, 3-methyl-, 4-methylbenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Butanol, 3-methyl-, 4-methylbenzenesulfonate(26466-06-8)
• EPA Substance Registry System: 2-Butanol, 3-methyl-, 4-methylbenzenesulfonate(26466-06-8)

Safety Data

• Hazardous Substances Data: 26466-06-8(Hazardous Substances Data)

Upstream product

• 563-45-1 3-Methyl-1-butene 
• 598-75-4 3-methyl-2-butanol 
• 98-59-9 p-toluenesulfonyl chloride 

Downstream Products

• 945557-18-6 4-(1-(3-methylbutan-2-yl)-6-nitro-1H-indol-3-yl)-benzonitrile 
• 461-73-4 2-Methyl-2-butyl trifluoroacetate 
• 691-75-8 3-methyl-2-butyl trifluoroacetate 
• 563-45-1 3-Methyl-1-butene 
• 18295-25-5 3-bromo-2-methylbutane 
• 513-35-9 2-methyl-but-2-ene 

Relevant articles and documents

Containing piperazinone quinazoline ketone PARP - 1/2 inhibitor and its preparation method, pharmaceutical composition and use thereof (by machine translation)

The invention discloses a new class of containing piperazinone quinazoline - 2, 4 (1 H, 3 H) - dione PARP - 1/2 inhibitor, and its preparation and pharmaceutical composition and use. Specifically, the invention relates to the general formula I shown containing of the piperazinone quinazoline - 2, 4 (1 H, 3 H) - dione derivatives and their pharmaceutically acceptable salt, and its preparation method, comprising one or more of the compounds of the composition, and the compounds in the preparation, the prevention and/or treatment with PARP - 1/2 of a disease associated with the use of the medicament. (by machine translation)

Secondary and Tertiary 2-Methylbutyl Cations. 1. Trifluoroacetolysis of 2-Methyl-2-butyl Tosylate

Trifluoroacetolysis rates for 3-methyl-2-butyl tosylate (4) and kinetic isotope effects at C(1) (kH/kD = 1.083 per H atom), C(2) (kH/kD = 1.10), and C(3) (kH/kD = 1.82) were determined.The products are 2-methyl-2-butyl trifluoroacetate (5, 98.5percent) and 3-methyl-2-butyl trifluoroacetate (6, 1.5percent).GC-MS analysis of products from labeled tosylates 4-1-d3 and 4-2-d showed that 42percent of the apparently unrearranged 6 had a methyl group shifted from the original C(3) to the original C(2), whereas 3.6percent methyl shift occurred in 5.The results do not substantiate a ks-kΔ competition mechanism.Instead, two carbocations, the tertiary 2-methyl-2-butyl (1) and the nominally secondary 3-methyl-2-butyl (2) intervene.The intimate structure of 2 is not established, but a symmetrical, methyl-bridged ion (3) does not agree with the results.A high β isotope effect does not require hydrogen assistance to ionization; ionization concerted with (assisted by) hydrogen migration is unimportant in formation of 1 (and 5) from 4.Instead, the reaction involves reversible formation of an intimate ion pair with subsequent rate-determining H shift (which for 2*OTs(-) is in competition with Me shift and ca. 25percent elimination) followed by solvent capture.Methyl migration in 2 may occur in the solvent-separated ion pair; alternatively, methyl or hydrogen migration is conformationally determined.At least 9percent of 1 is formed from 2 which has undergone methyl shift.Nucleophilic attack on 4 appears important only in strongly nucleophilic media like aqueous ethanol.The claim that nucleophilic solvent assistance is significant in solvolysis of other secondary alkyl substrates in TFA or 97percent hexafluoro-2-propanol is evaluated.Such a conclusion cannot be accepted on the basis of rate correlations alone, (i.e without product studies to support it).The implications of our results for the trifluoroacetolysis of 2-butyl tosylate are briefly discussed.