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1-(3-chlorophenyl)-2,2,2-trifluoroethanol is a chemical compound characterized by the presence of a trifluoroethyl group attached to a chlorophenyl group on a carbon atom, with a hydroxyl group also bonded to the same carbon atom. This unique structure endows the compound with strong hydrogen-bond donating properties and enhanced reactivity and selectivity in organic reactions due to the chlorophenyl moiety.

81577-11-9

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81577-11-9 Usage

Uses

Used in Organic Synthesis:
1-(3-chlorophenyl)-2,2,2-trifluoroethanol serves as a versatile building block in organic synthesis, particularly for the preparation of various pharmaceuticals and agrochemicals. Its trifluoroethanol group and chlorophenyl group contribute to the compound's reactivity and selectivity, making it a valuable intermediate in the synthesis of complex organic molecules.
Used in Pharmaceutical Industry:
1-(3-chlorophenyl)-2,2,2-trifluoroethanol is utilized as a solvent in the pharmaceutical industry. Its strong hydrogen-bond donating properties make it useful for promoting certain chemical reactions, facilitating the synthesis of pharmaceutical compounds.
Used in Manufacturing Industry:
In the manufacturing industry, 1-(3-chlorophenyl)-2,2,2-trifluoroethanol is employed as a solvent for various processes. Its ability to promote chemical reactions and its compatibility with a range of materials make it a valuable component in the production of different products.

Check Digit Verification of cas no

The CAS Registry Mumber 81577-11-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,1,5,7 and 7 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 81577-11:
(7*8)+(6*1)+(5*5)+(4*7)+(3*7)+(2*1)+(1*1)=139
139 % 10 = 9
So 81577-11-9 is a valid CAS Registry Number.

81577-11-9SDS

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 1-(3-chlorophenyl)-2,2,2-trifluoroethanol

1.2 Other means of identification

Product number -
Other names 1-(3-chlorophenyl)-2,2,2-trifluoroethan-1-ol

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:81577-11-9 SDS

81577-11-9Relevant academic research and scientific papers

Highly enantioselective construction of CF3-bearing all-carbon quaternary stereocenters: Hiral spiro-fused bisoxazoline ligands with 1,1′-binaphthyl sidearm for asymmetric Michael-type Friedel-Crafts reaction

Bao, Robert Li-Yuan,Fu, Kang,Shi, Lei

, (2021/11/27)

A novel class of chiral spiro-fused bisoxazoline ligands possessing a deep chiral pocket was prepared. The developed ligands have been employed in the nickel-catalyzed highly enantioselective Michael-type Friedel-Crafts reaction, affording the products bearing a trifluoromethylated all-carbon quaternary stereocenter with moderate to excellent yields (up to 99%) and good to excellent enantioselectivies (up to > 99.9% ee). Moreover, a proposed model of chiral pocket revealed that the attack of indole from the Re-face of β-CF3-β-disubstituted nitroalkene was favorable.

Asymmetric Hydrogenation of Aryl Perfluoroalkyl Ketones Catalyzed by Rhodium(III) Monohydride Complexes Bearing Josiphos Ligands

Brüning, Fabian,Nagae, Haruki,K?ch, Daniel,Mashima, Kazushi,Togni, Antonio

supporting information, p. 10818 - 10822 (2019/07/31)

The asymmetric hydrogenation of 2,2,2-trifluoroacetophenones and aryl perfluoroalkyl ketones was developed using a unique, well-defined chloride-bridged dinuclear rhodium(III) complex bearing Josiphos-type diphosphine ligands. These complexes were prepared from [RhCl(cod)]2, Josiphos ligands, and hydrochloric acid. As catalyst precursors, they allow for the efficient and enantioselective synthesis (up to 99 % ee) of chiral secondary alcohols with perfluoroalkyl groups. This system does not require an activating base for the hydrogenation of 2,2,2-trifluoroacetophenones. Additionally, the enantioselective C=O hydrogenations of 2-phenyl-3-(haloacetyl)-indoles, a class of privileged structures in medicinal chemistry, is reported for the first time.

Visible light-promoted umpolung coupling of aryl tri-/difluoroethanones with 2-alkenylpyridines

Xu, Xiao,Min, Qing-Qiang,Li, Na,Liu, Feng

supporting information, p. 11017 - 11020 (2018/10/08)

Tertiary alcohols bearing a trifluoromethyl group are of considerable medicinal interest. Using an umpolung strategy, we herein report the first intermolecular reductive cross-coupling of aryl tri-/difluoroethanones with 2-alkenylpyridines with the aid of a Br?nsted acid catalyst upon visible-light irradiation. This metal-free reaction is operationally simple and performed at ambient temperature, allowing access to desired tertiary alcohols with tri-/difluoromethyl groups in moderate to excellent yields. The commercially available and easily handled Hantzsch ester effectively serves as an electron donor, as well as a hydrogen atom source.

Pesticidal compositions and processes related thereto

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Page/Page column 46; 127, (2016/01/09)

This document discloses molecules having the following formula (“Formula One”): and processes associated therewith.

PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO

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Paragraph 0141; 0165; 0166, (2015/12/30)

This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Nematoda, Arthropoda, and/or Mollusca, processes to produce such molecules and intermediates used in such processes, compositions containing such molecules, and processes of using such molecules against such pests. These molecules may be used, for example, as nematicides, acaricides, insecticides, miticides, and/or molluscicides. This document discloses molecules having the following formula (“Formula One”).

PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO

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Page/Page column 47; 126, (2014/07/08)

This document discloses molecules having the following formula ("Formula One"): and processes associated therewith.

PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO

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Paragraph 0620-0621, (2014/06/25)

This document discloses molecules having the following formula (“Formula One”): and processes associated therewith.

PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO

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Page/Page column 126; 127, (2014/07/08)

This document discloses molecules having the following formula ("Formula One") and processes associated therewith.

Highly efficient synthesis of aryl and heteroaryl trifluoromethyl ketones via o-iodobenzoic acid (IBX)

Cheng, Huicheng,Pei, Yu,Leng, Faqiang,Li, Jingya,Liang, Apeng,Zou, Dapeng,Wu, Yangjie,Wu, Yusheng

, p. 4483 - 4486 (2013/07/26)

A two-step process for the synthesis of aryl and heteroaryl trifluoromethyl ketones from the corresponding aldehydes is described. Trifluoromethyl alcohols were prepared from aryl and heteroaryl aldehydes in excellent yields using catalytic amount of K2CO3. The trifluoromethyl alcohols were then oxidized conveniently and efficiently by o-iodoxybenzoic acid (IBX) under mild conditions to get the desired functionalized aryl and heteroaryl trifluoromethyl ketones.

PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO

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Page/Page column 68-69, (2013/02/28)

This document discloses molecules having the following formula (“Formula One”): and processes associated therewith.

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