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  • 110771-95-4 Structure
  • Basic information

    1. Product Name: TOS-D-PRO-OH
    2. Synonyms: TOS-D-PROLINE;TOS-D-PRO-OH;TOSYL-D-PROLINE;Tosyl-D-proline≥ 98% (TLC)
    3. CAS NO:110771-95-4
    4. Molecular Formula: C12H15NO4S
    5. Molecular Weight: 269.32
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 110771-95-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 467.6±55.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.377±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Store at RT.
    8. Solubility: N/A
    9. PKA: 3.46±0.20(Predicted)
    10. CAS DataBase Reference: TOS-D-PRO-OH(CAS DataBase Reference)
    11. NIST Chemistry Reference: TOS-D-PRO-OH(110771-95-4)
    12. EPA Substance Registry System: TOS-D-PRO-OH(110771-95-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 110771-95-4(Hazardous Substances Data)

110771-95-4 Usage

Chemical Properties

White powder

Check Digit Verification of cas no

The CAS Registry Mumber 110771-95-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,0,7,7 and 1 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 110771-95:
(8*1)+(7*1)+(6*0)+(5*7)+(4*7)+(3*1)+(2*9)+(1*5)=104
104 % 10 = 4
So 110771-95-4 is a valid CAS Registry Number.

110771-95-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name (2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names TPR

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:110771-95-4 SDS

110771-95-4Relevant articles and documents

Exceptionally Stable and Efficient Solid Supported Hoveyda-Type Catalyst

Skowerski, Krzysztof,Pastva, Jakub,Czarnocki, Stefan J.,Janoscova, Jana

, p. 872 - 877 (2015)

The ammonium tagged Hoveyda-type catalyst bearing sterically enlarged N-heterocyclic carbene ligand was synthesized and supported on SBA-15. The obtained heterogeneous olefin metathesis catalyst forms unprecedentedly stable Ru-methylidenes and provides products of ring-closing and cross metathesis with turnover numbers (TONs) up to 35 000 and turnover frequencies (TOFs) up to 1590 min-1. The catalyst proved to be truly recyclable and effective in a continuous flow mode.

Enantiomeric resolution of [(2,2-diphenyl-1,3-dioxolan-4-yl)methyl](2-phenoxyethyl)amine, a potent α1 and 5-HT1A receptor ligand: An in vitro and computational study

Franchini, Silvia,Baraldi, Annamaria,Sorbi, Claudia,Pellati, Federica,Cichero, Elena,Battisti, Umberto M.,Angeli, Piero,Cilia, Antonio,Brasili, Livio

, p. 677 - 690 (2015)

In this paper, the enantiomers of (±)-1, previously studied as α1 and 5-HT1A ligands, were prepared both by resolution of the racemate and asymmetric synthesis. The enantiomeric purity and absolute configuration were determined by me

Novel anti-inflammatory and analgesic agents: synthesis, molecular docking and in vivo studies

Ugwu, David Izuchukwu,Okoro, Uchechukwu Christopher,Ukoha, Pius Onyeoziri,Okafor, Sunday N.,Gupta, Astha

, p. 405 - 415 (2018)

Twelve new derivatives of benzothiazole bearing benzenesulphonamide and carboxamide were synthesised and investigated for their in vivo anti-inflammatory, analgesic and ulcerogenic activities. Molecular docking showed an excellent binding interaction of t

Simple derivatives of natural amino acids as chiral ligands in the catalytic asymmetric addition of phenylacetylene to aldehydes

Han, Zhi-Jian,Wang, Rui,Zhou, Yi-Feng,Liu, Lei

, p. 934 - 938 (2005)

Optically active propargylic alcohols are important chiral building blocks in asymmetric synthesis, and asymmetric addition of terminal alkynes to aldehydes is one of the most important and interesting procedures by which to prepare these chiral building

New carboxamides bearing benzenesulphonamides: Synthesis, molecular docking and pharmacological properties

Eze, Florence Uchenna,Okoro, Uchechukwu Chris,Ugwu, David Izuchukwu,Okafor, Sunday N.

, (2019)

Ten new derivatives of benzenesulphonamide bearing carboxamide functionality were synthesized and investigated for their in vitro antimicrobial, antioxidant and in vivo anti-inflammatory activities. Compound 9d inhibited carrageenan induced rat-paw oedema

High-Performance Isocyanide Scavengers for Use in Low-Waste Purification of Olefin Metathesis Products

Szczepaniak, Grzegorz,Urbaniak, Katarzyna,Wierzbicka, Celina,Kosiński, Krzysztof,Skowerski, Krzysztof,Grela, Karol

, p. 4139 - 4148 (2015)

Three isocyanides containing a tertiary nitrogen atom were investigated for use as small-molecule ruthenium scavenging agents in the workup of olefin metathesis reactions. The proposed compounds are odorless, easy to obtain, and highly effective in removi

Synthesis, docking and in vitro evaluation of L-proline derived 1,3-diketones possessing anti-cancer and anti-inflammatory activities

Porchezhiyan,Kalaivani,Shobana,Noorjahan

, (2020)

Unsymmetrical 1,3-diketones with potential anti-cancer as well as anti-inflammatory activities were synthesized via direct coupling reaction between ketones and N-acyl benzotriazoles, based on soft enolisation under mild conditions and characterized by 1H,13C NMR, IR and HRMS. Molecular docking of the synthesized compounds (5a-5j) with the enzymes PTK6 (breast cancer cell), COX-1 and COX-2 (inflammation and pain) revealed 5j to be the potent compound. It was found to inhibit several important mitogen activated protein kinases, preferentially p38β with a binding energy of ?11.2 kcal/mol. During in vitro studies for MTT cytotoxicity assay using breast cancer cell line (MDA-MB-231) and HRBC assay for anti-inflammatory studies, the compound 5j exhibited anti-cancer activity with IC50 = 3.4 μM and 94.7% stabilization respectively. Thus the synthesized compounds (5a-5j) with more drug likeliness and high GI values as proved by the Swiss ADME online portal, can be effective in inhibiting breast cancer cells and the associated inflammation.

Access to Optically Pure Benzosultams by Superelectrophilic Activation

Michelet, Bastien,Castelli, Ugo,Appert, Emeline,Boucher, Maude,Vitse, Kassandra,Marrot, Jér?me,Guillard, Jér?me,Martin-Mingot, Agnès,Thibaudeau, Sébastien

, p. 4944 - 4948 (2020/07/14)

Through superacid activation, N-(arenesulfonyl)-aminoalcohols derived from readily available ephedrines or amino acids undergo an intramolecular Friedel-Crafts reaction to afford enantiopure benzosultams bearing two adjacent stereocenters in high yields with fully controlled diastereoselectivity. Low-temperature NMR spectroscopy demonstrated the crucial role played by the conformationally restricted chiral dicationic intermediates.

Stereoselective total synthesis of (S)- and (R)-nuciferine using benzyne chemistry

Casagrande, Gleison A.,Deflon, Victor M.,Martins, Gabriel R.,Oliveira-Silva, Diogo,Perecim, Givago P.,Pinto, Leandro M. C.,Raminelli, Cristiano

, (2020/08/13)

Total syntheses of (S)- and (R)-nuciferine were accomplished through approach involving diastereoselective reaction between a chiral dihydroisoquinoline enamide and 2-(trimethylsilyl)phenyl trifluoromethanesulfonate promoted by CsF, affording a separable mixture of diastereoisomers, which provided (S)- and (R)-nuciferine via simple and efficient transformations.

Synthesis, characterization, in silico and in vitro evaluations of symmetrical 1,3-Diketones

Porchezhiyan,Kalaivani,Shobana,Noorjahan

, p. 853 - 864 (2020/03/24)

1,3-Dicarbonyl compounds have gained significant importance since they are abundantly available in the natural products and possess myriad biological activities. The new symmetrical 1,3-diketones bearing L-proline, 2-methyl-5-iodobenzoic acid, piperidine-3-carboxylic acid and naphthalene-1-acetic acid moieties were synthesized by coupling reaction of appropriate ketone with N-acyl triazole in the presence of MgBr2·Et2O and DIPEA. The chemical structure of the compounds were confirmed from the spectral data such as 1H, 13C NMR, FT-IR and HRMS. Molecular docking studies were carried out for all the compounds with tumor associated protein tyrosine kinase-6 (PTK6) and inflammatory protein cyclooxygenase-2 (COX2). The in vitro evaluation was carried out using breast cancer cell lines (MTT assay) and HRBC stabilization assays. During in silico studies, the ki values obtained against PTK6 and COX2 for (5a-d) compounds were in the range (-7.5 to -10.6) and (-7.6 to -9.8) kcal/mol, respectively. The compound 5d was selected for MTT assay, since it exhibited the highest binding affinity (-10.6 kcal/mol) against PTK6 and gave IC50 - 2.4 μg/mL against breast cancer cell lines. The HRBC stabilization of all the compounds (5a-5d) were in the range (59.28-93.4) %, with highest stabilization value by 5d, which also displayed higher binding affinity with -7.6 kcal/mol towards COX2. Thus, the synthesized symmetrical 1,3-diketones with suitable functionality can be both anticancer and anti-inflammatory agents.

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