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380481-66-3

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380481-66-3 Usage

General Description

4-methylbenzeneboronic acid neopentyl ester is a chemical compound consisting of a boronic acid derivative and a neopentyl ester group. It is commonly used as a reagent in organic synthesis, particularly in the formation of carbon-carbon and carbon-heteroatom bonds. This chemical is often utilized in the Suzuki-Miyaura coupling reaction, a widely used method for the synthesis of biaryls and other organic compounds. Its unique structure and reactivity make it a valuable tool in the field of organic chemistry for the construction of complex molecular structures.

Check Digit Verification of cas no

The CAS Registry Mumber 380481-66-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,8,0,4,8 and 1 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 380481-66:
(8*3)+(7*8)+(6*0)+(5*4)+(4*8)+(3*1)+(2*6)+(1*6)=153
153 % 10 = 3
So 380481-66-3 is a valid CAS Registry Number.
InChI:InChI=1/C12H17BO2/c1-10-4-6-11(7-5-10)13-14-8-12(2,3)9-15-13/h4-7H,8-9H2,1-3H3

380481-66-3 Well-known Company Product Price

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  • Alfa Aesar

  • (L19563)  4-Methylbenzeneboronic acid neopentyl glycol ester, 99%   

  • 380481-66-3

  • 1g

  • 414.0CNY

  • Detail
  • Alfa Aesar

  • (L19563)  4-Methylbenzeneboronic acid neopentyl glycol ester, 99%   

  • 380481-66-3

  • 5g

  • 1481.0CNY

  • Detail
  • Alfa Aesar

  • (L19563)  4-Methylbenzeneboronic acid neopentyl glycol ester, 99%   

  • 380481-66-3

  • 25g

  • 5288.0CNY

  • Detail

380481-66-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-METHYLBENZENEBORONIC ACID NEOPENTYL ESTER

1.2 Other means of identification

Product number -
Other names p-tolylboronic acid neopentyl glycol ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:380481-66-3 SDS

380481-66-3Relevant articles and documents

Ni-Catalyzed Borylation of Aryl Sulfoxides

Huang, Mingming,Wu, Zhu,Krebs, Johannes,Friedrich, Alexandra,Luo, Xiaoling,Westcott, Stephen A.,Radius, Udo,Marder, Todd B.

supporting information, p. 8149 - 8158 (2021/05/10)

A nickel/N-heterocyclic carbene (NHC) catalytic system has been developed for the borylation of aryl sulfoxides with B2(neop)2 (neop=neopentyl glycolato). A wide range of aryl sulfoxides with different electronic and steric properties were converted into the corresponding arylboronic esters in good yields. The regioselective borylation of unsymmetric diaryl sulfoxides was also feasible leading to borylation of the sterically less encumbered aryl substituent. Competition experiments demonstrated that an electron-deficient aryl moiety reacts preferentially. The origin of the selectivity in the Ni-catalyzed borylation of electronically biased unsymmetrical diaryl sulfoxide lies in the oxidative addition step of the catalytic cycle, as oxidative addition of methoxyphenyl 4-(trifluoromethyl)phenyl sulfoxide to the Ni(0) complex occurs selectively to give the structurally characterized complex trans-[Ni(ICy)2(4-CF3-C6H4){(SO)-4-MeO-C6H4}] 4. For complex 5, the isomer trans-[Ni(ICy)2(C6H5)(OSC6H5)] 5-I was structurally characterized in which the phenyl sulfinyl ligand is bound via the oxygen atom to nickel. In solution, the complex trans-[Ni(ICy)2(C6H5)(OSC6H5)] 5-I is in equilibrium with the S-bonded isomer trans-[Ni(ICy)2(C6H5)(SOC6H5)] 5, as shown by NMR spectroscopy. DFT calculations reveal that these isomers are separated by a mere 0.3 kJ/mol (M06/def2-TZVP-level of theory) and connected via a transition state trans-[Ni(ICy)2(C6H5)(η2-{SO}-C6H5)], which lies only 10.8 kcal/mol above 5.

Nickel-Catalyzed Regioselective Alkenylarylation of γ,δ-Alkenyl Ketones via Carbonyl Coordination

Aryal, Vivek,Dhungana, Roshan K.,Giri, Ramesh,Lakomy, Margaret G.,Niroula, Doleshwar,Sapkota, Rishi R.

supporting information, p. 19092 - 19096 (2021/08/09)

We disclose a nickel-catalyzed reaction, which enabled us to difunctionalize unactivated γ,δ-alkenes in ketones with alkenyl triflates and arylboronic esters. The reaction was made feasible by the use of 5-chloro-8-hydroxyquinoline as a ligand along with

Ruthenium-Catalyzed Carbonylative Coupling of Anilines with Organoboranes by the Cleavage of Neutral Aryl C-N Bond

Xu, Jian-Xing,Zhao, Fengqian,Yuan, Yang,Wu, Xiao-Feng

supporting information, p. 2756 - 2760 (2020/03/30)

Herein, we report the first ruthenium-catalyzed Suzuki-type carbonylative reaction of electronically neutral anilines via C(aryl)-N bond cleavage. Without any ligand and base, diaryl ketones can be obtained in moderate to high yields by using Ru3/su

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