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(4-Chlorophenyl)acetic acid tert-butyl ester, also known as 4-CPA-TBE, is a chemical compound with the molecular formula C12H15ClO2. It is a colorless to pale yellow liquid with a strong, pungent odor and is flammable. (4-CHLOROPHENYL)ACETIC ACID TERT-BUTYL ESTER should be handled with care due to its potential to cause skin and eye irritation.

33155-59-8

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33155-59-8 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
(4-Chlorophenyl)acetic acid tert-butyl ester is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its role in these industries is crucial for the development of new drugs and agricultural products.
Used in Industrial Processes as a Solvent:
In the industrial sector, (4-CPA-TBE) is utilized as a solvent for various processes. Its solvent properties make it a valuable component in the production of different products.
Used in Fragrance and Flavoring Production:
(4-Chlorophenyl)acetic acid tert-butyl ester also serves as a chemical intermediate in the production of fragrances and flavorings, contributing to the creation of diverse scents and tastes in the market.

Check Digit Verification of cas no

The CAS Registry Mumber 33155-59-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,3,1,5 and 5 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 33155-59:
(7*3)+(6*3)+(5*1)+(4*5)+(3*5)+(2*5)+(1*9)=98
98 % 10 = 8
So 33155-59-8 is a valid CAS Registry Number.

33155-59-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Methyl-2-propanyl (4-chlorophenyl)acetate

1.2 Other means of identification

Product number -
Other names tert-butyl 4-chlorocumyl peroxide

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:33155-59-8 SDS

33155-59-8Relevant academic research and scientific papers

Catalytic Asymmetric Darzens-Type Epoxidation of Diazoesters: Highly Enantioselective Synthesis of Trisubstituted Epoxides

Jeong, Hye-Min,Nam, Dong Guk,Ryu, Do Hyun,Shim, Su Yong

supporting information, p. 22236 - 22240 (2021/09/13)

Highly enantioselective Darzens-type epoxidation of diazoesters with glyoxal derivatives was accomplished using a chiral boron–Lewis acid catalyst, which facilitated asymmetric synthesis of trisubstituted α,β-epoxy esters. In the presence of a chiral oxazaborolidinium ion catalyst, the reaction proceeded in high yield (up to 99 %) with excellent enantio- and diastereoselectivity (up to >99 % ee and >20:1 dr, respectively). The synthetic potential of this method was illustrated by conversion of the products to various compounds such as epoxy γ-butyrolactone, tertiary β-hydroxy ketone and epoxy diester.

Synthesis of Rhodium Complexes with Chiral Diene Ligands via Diastereoselective Coordination and Their Application in the Asymmetric Insertion of Diazo Compounds into E?H Bonds

Ankudinov, Nikita M.,Chusov, Denis A.,Nelyubina, Yulia V.,Perekalin, Dmitry S.

supporting information, p. 18712 - 18720 (2021/07/20)

A new method for the synthesis of chiral diene rhodium catalysts is introduced. The readily available racemic tetrafluorobenzobarrelene complexes [(R2-TFB)RhCl]2 were separated into two enantiomers via selective coordination of one of them with the auxiliary S-salicyl-oxazoline ligand. One of the resulting chiral complexes with an exceptionally bulky diene ligand [(R,R-iPr2-TFB)RhCl]2 was an efficient catalyst for the asymmetric insertion of diazoesters into B?H and Si?H bonds giving the functionalized organoboranes and silanes with high yields (79–97 %) and enantiomeric purity (87–98 % ee). The stereoselectivity of separation via auxiliary ligand and that of the catalytic reaction was predicted by DFT calculations.

Cu(I)/chiral bisoxazoline-catalyzed enantioselective sommelet-hauser rearrangement of sulfonium ylides

Wang, Jianbo,Li, Shu-Sen

supporting information, p. 12343 - 12358 (2020/11/10)

Catalytic asymmetric thia-Sommelet-Hauser rearrangement of sulfonium ylides remains a great challenge due to its multistep reaction mechanism involving metal carbene formation, proton transfer, and [2,3]-sigmatropic rearrangement. In particular, the key problem of such reactions is the differentiation of the enantiotopic lone pair electrons of sulfur, which generates the sulfonium ylide intermediate bearing chirality on the sulfur atom. With a modified chiral bisoxazoline ligand, we developed a Cu(I)- catalyzed asymmetric thia-Sommelet-Hauser rearrangement with good to excellent enantioselectivities. Mechanistic studies provide insights into the details of the reaction mechanism.

Catalytic Asymmetric Fluorination of Copper Carbene Complexes: Preparative Advances and a Mechanistic Rationale

Buchsteiner, Michael,Fürstner, Alois,Jerabek, Paul,Lehmann, Christian W.,Martinez-Rodriguez, Luis,N?thling, Nils,Patzer, Michael,Pozo, Iago

supporting information, p. 2509 - 2515 (2020/02/26)

The Cu-catalyzed reaction of substituted α-diazoesters with fluoride gives α-fluoroesters with ee values of up to 95 %, provided that chiral indane-derived bis(oxazoline) ligands are used that carry bulky benzyl substituents at the bridge and moderately bulky isopropyl groups on their core. The apparently homogeneous solution of CsF in C6F6/hexafluoroisopropanol (HFIP) is the best reaction medium, but CsF in the biphasic mixture CH2Cl2/HFIP also provides good results. DFT studies suggest that fluoride initially attacks the Cu- rather than the C-atom of the transient donor/acceptor carbene intermediate. This unusual step is followed by 1,2-fluoride shift; for this migratory insertion to occur, the carbene must rotate about the Cu?C bond to ensure orbital overlap. The directionality of this rotatory movement within the C2-symmetric binding site determines the sense of induction. This model is in excellent accord with the absolute configuration of the resulting product as determined by X-ray diffraction using single crystals of this a priori wax-like material grown by capillary crystallization.

Three-Component Synthesis of Isoquinoline Derivatives by a Relay Catalysis with a Single Rhodium(III) Catalyst

Zhou, Chao,Jiang, Jijun,Wang, Jun

supporting information, p. 4971 - 4975 (2019/09/03)

A rhodium(III)-catalyzed one-pot three-component reaction of N-methoxybenzamide, α-diazoester, and alkyne was developed, providing an alternative way to synthesize isoquinoline derivatives. Mechanistically, it is a relay catalysis, and the reaction occurred via successive O-alkylation and C-H activation processes, both of which were promoted by the same catalyst.

Photoinduced Palladium-Catalyzed Negishi Cross-Couplings Enabled by the Visible-Light Absorption of Palladium–Zinc Complexes

Abdiaj, Irini,Huck, Lena,Mateo, José Miguel,de la Hoz, Antonio,Gomez, M. Victoria,Díaz-Ortiz, Angel,Alcázar, Jesús

supporting information, p. 13231 - 13236 (2018/09/25)

A visible-light-induced Negishi cross-coupling is enabled by the activation of a Pd0–Zn complex. With this photocatalytic method, the scope of deactivated aryl halides that can be employed in the Negishi coupling was significantly expanded. NMR experiments conducted in the presence and absence of light confirmed that the formation of the palladium–zinc complex is key for accelerating the oxidative addition step.

One for Many: A Universal Reagent for Acylation Processes

Moon, Hyun Kyung,Sung, Gi Hyeon,Kim, Bo Ram,Park, Jong Keun,Yoon, Yong-Jin,Yoon, Hyo Jae

supporting information, p. 1725 - 1730 (2016/06/09)

This work describes acylation reactions facilitated by a type of heterocycle-based acyl transfer agent, 2-acyloxypyridazinone. Reactions of 2-acyloxypyridazinone with carboxylic acids yield mixed carbonic anhydride intermediates, which are reactive and could be coupled with a wide range of substrates including acids, amines, alcohols, and thiols. The wide substrate scope, ease of operation (no additive or catalyst), storage and handling stability, and atom-efficiency from recycling the heterocycle carrier make the reported acylating agent attractive for acylation-based coupling reactions.

Palladium-catalyzed α-arylation of zinc enolates of esters: Reaction conditions and substrate scope

Hama, Takuo,Ge, Shaozhong,Hartwig, John F.

, p. 8250 - 8266 (2013/09/24)

The intermolecular α-arylation of esters by palladium-catalyzed coupling of aryl bromides with zinc enolates of esters is reported. Reactions of three different types of zinc enolates have been developed. α-Arylation of esters occurs in high yields with i

Iron-catalyzed chemoselective cross-coupling of α-bromocarboxylic acid derivatives with aryl grignard reagents

Jin, Masayoshi,Nakamura, Masaharu

scheme or table, p. 1012 - 1014 (2011/12/05)

We have developed a simple and effective synthetic method of α-arylcarboxylic acid derivatives based on the iron-catalyzed cross-coupling reaction of α-bromocarboxylic acid derivatives with aryl Grignard reagents. The reaction proceeds smoothly at -78 °C in a chemoselective manner to produce the coupling product in good to excellent yields.

GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE

-

Page/Page column 80, (2010/04/06)

Glucagon receptor antagonist compounds are disclosed. The compounds are useful for treating type 2 diabetes and related conditions. Pharmaceutical compositions and methods of treatment are also included.

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