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(S)-ALPHA,ALPHA-BIS(4-FLUOROPHENYL)-2-PYRROLIDINEMETHANOL is a chiral chemical compound with the molecular formula C21H23F2NO. It features a pyrrolidinemethanol backbone to which two 4-fluorophenyl groups are attached. (S)-ALPHA,ALPHA-BIS(4-FLUOROPHENYL)-2-PYRROLIDINEMETHANOL is notable for its potential as a drug candidate and its use as an intermediate in the synthesis of pharmaceuticals and other organic compounds. Its unique stereochemistry, with two enantiomers that possess distinct pharmacological properties, makes it a valuable asset in drug development.

131180-45-5

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131180-45-5 Usage

Uses

Used in Pharmaceutical Industry:
(S)-ALPHA,ALPHA-BIS(4-FLUOROPHENYL)-2-PYRROLIDINEMETHANOL is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to be incorporated into complex molecular structures, contributing to the development of new drugs with specific therapeutic targets.
Used in Drug Development:
As a chiral molecule, (S)-ALPHA,ALPHA-BIS(4-FLUOROPHENYL)-2-PYRROLIDINEMETHANOL is utilized in drug development to explore the different pharmacological properties of its enantiomers, potentially leading to more effective and safer medications.
Used in Organic Synthesis:
(S)-ALPHA,ALPHA-BIS(4-FLUOROPHENYL)-2-PYRROLIDINEMETHANOL serves as a versatile building block in organic synthesis, allowing for the creation of a wide range of organic compounds for various applications, including but not limited to materials science, agrochemicals, and specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 131180-45-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,1,1,8 and 0 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 131180-45:
(8*1)+(7*3)+(6*1)+(5*1)+(4*8)+(3*0)+(2*4)+(1*5)=85
85 % 10 = 5
So 131180-45-5 is a valid CAS Registry Number.

131180-45-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol

1.2 Other means of identification

Product number -
Other names HMS2164H21

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:131180-45-5 SDS

131180-45-5Relevant academic research and scientific papers

Organocatalytic enantioselective α-hydroxymethylation of aldehydes: Mechanistic aspects and optimization

Boeckman, Robert K.,Biegasiewicz, Kyle F.,Tusch, Douglas J.,Miller, John R.

, p. 4030 - 4045 (2015/05/05)

Further studies of the direct enantioselective α-hydroxymethylation of aldehydes employing the α,α-diarylprolinol trimethylsilyl ether class of organocatalysts are described. This process has proven efficient for access to β-hydroxycarboxylic acids and δ-hydroxy-α,β-unsaturated esters from aldehydes in generally good yields, excellent enantioselectivity, and compatibility with a broad range of functional groups in the aldehyde. The goal of these studies was to identify the critical reaction variables that influence the yield and enantioselectivity of the α-hydroxymethylation process such as catalyst structure, pH of the medium, purity of the reactants and reagents particularly with respect to the presence of acidic impurities, and the nature of the buffer, along with the standard variables including solvent, time, temperature and mixing efficiency. The previously identified intermediate lactol has been further characterized and its reactivity examined. These studies have led to identification of the most critical variables translating directly into improved substrate scope, reproducibility, enantioselectivity, and yields.

Synthesis and discovery of N -carbonylpyrrolidine- or N -sulfonylpyrrolidine-containing uracil derivatives as potent human deoxyuridine triphosphatase inhibitors

Miyakoshi, Hitoshi,Miyahara, Seiji,Yokogawa, Tatsushi,Chong, Khoon Tee,Taguchi, Junko,Endoh, Kanji,Yano, Wakako,Wakasa, Takeshi,Ueno, Hiroyuki,Takao, Yayoi,Nomura, Makoto,Shuto, Satoshi,Nagasawa, Hideko,Fukuoka, Masayoshi

, p. 2960 - 2969 (2012/06/01)

Recently, deoxyuridine triphosphatase (dUTPase) has emerged as a potential target for drug development as part of a new strategy of 5-fluorouracil-based combination chemotherapy. We have initiated a program to develop potent drug-like dUTPase inhibitors based on structure-activity relationship (SAR) studies of uracil derivatives. N-Carbonylpyrrolidine- and N-sulfonylpyrrolidine- containing uracils were found to be promising scaffolds that led us to human dUTPase inhibitors (12k) having excellent potencies (IC50 = 0.15 μM). The X-ray structure of a complex of 16a and human dUTPase revealed a unique binding mode wherein its uracil ring and phenyl ring occupy a uracil recognition region and a hydrophobic region, respectively, and are stacked on each other. Compounds 12a and 16a markedly enhanced the growth inhibition activity of 5-fluoro-2′-deoxyuridine against HeLa S3 cells in vitro (EC50 = 0.27-0.30 μM), suggesting that our novel dUTPase inhibitors could contribute to the development of chemotherapeutic strategies when used in combination with TS inhibitors.

Asymmetric carbonyl reduction with borane catalyzed by chiral phosphinamides derived from L-amino acid

Li, Kangying,Zhou, Zhenghong,Wang, Lixin,Chen, Qifa,Zhao, Guofeng,Zhou, Qilin,Tang, Chuchi

, p. 95 - 100 (2007/10/03)

Two types of chiral phosphinamide catalysts 3a-d and 4a-c were prepared from L-phenylalanine and L-proline, respectively. Their applications in the asymmetric borane reduction of prochiral ketones were investigated. The chiral secondary alcohols were obtained with excellent chemical yields and moderate to high enantiomeric excesses.

A Practical Enantioselective Synthesis of α,α-Diaryl-2-pyrrolidinemethanol. Preparation and Chemistry of the Corresponding Oxazaborolidines

Mathre, David J.,Jones, Todd K.,Xavier, Lyndon C.,Blacklock, Thomas J.,Reamer, Robert A.,et al.

, p. 751 - 762 (2007/10/02)

A practical two-step enantioselective synthesis of α,α-diaryl-2-pyrrolidinemethanols (1) from proline, based on the addition of aryl Grignard reagents to proline-N-carboxanhydride (3), is reported.An investigation into the chemistry of the corresponding B-alkyl- and B-aryloxazaborolidines (2) led to the development of a reliable procedure for their preparation.

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