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(S,S)-N-Benzyl-3,4-trans-dimesolate pyrrolidine is a complex chemical compound that features a dimesolate derivative of pyrrolidine, a heterocyclic compound with a five-membered ring composed of three carbon atoms and one nitrogen atom. The addition of a benzyl group to the nitrogen atom enhances the stability of the molecule, which is significant for its applications in organic synthesis and pharmaceuticals. The (S,S)-configuration denotes the stereochemistry of the compound, specifying the spatial arrangement of its two chiral centers. This makes (S,S)-N-Benzyl-3,4-trans-dimesolate pyrrolidine a valuable chemical building block with a broad spectrum of potential uses in various industries and scientific research.

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  • 104351-40-8 Structure
  • Basic information

    1. Product Name: (S,S)-N-BENZYL-3,4-TRANS-DIMESOLATE PYRROLIDINE
    2. Synonyms: (S,S)-N-BENZYL-3,4-TRANS-DIMESOLATE PYRROLIDINE
    3. CAS NO:104351-40-8
    4. Molecular Formula: C13H19NO6S2
    5. Molecular Weight: 349.42
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 104351-40-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 552.0±50.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.42±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 4.98±0.60(Predicted)
    10. CAS DataBase Reference: (S,S)-N-BENZYL-3,4-TRANS-DIMESOLATE PYRROLIDINE(CAS DataBase Reference)
    11. NIST Chemistry Reference: (S,S)-N-BENZYL-3,4-TRANS-DIMESOLATE PYRROLIDINE(104351-40-8)
    12. EPA Substance Registry System: (S,S)-N-BENZYL-3,4-TRANS-DIMESOLATE PYRROLIDINE(104351-40-8)
  • 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: 104351-40-8(Hazardous Substances Data)

104351-40-8 Usage

Uses

Used in Organic Synthesis:
(S,S)-N-Benzyl-3,4-trans-dimesolate pyrrolidine serves as a key intermediate in organic synthesis, particularly for the creation of complex organic molecules. Its unique structure and stability make it a versatile component in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Applications:
In the pharmaceutical industry, (S,S)-N-Benzyl-3,4-trans-dimesolate pyrrolidine is utilized as a building block for the development of new drugs. Its specific stereochemistry and molecular structure contribute to the design of innovative therapeutic agents with targeted effects and improved pharmacological properties.
Used in Research and Development:
(S,S)-N-Benzyl-3,4-trans-dimesolate pyrrolidine is also employed in research and development settings to explore its potential in various chemical reactions and to understand its behavior under different conditions. This knowledge can lead to the discovery of new applications and improvements in existing processes.
Used in Chiral Compounds Production:
Due to its chiral nature, (S,S)-N-Benzyl-3,4-trans-dimesolate pyrrolidine is used in the production of chiral compounds, which are essential in many biological and chemical processes. The specific stereochemistry allows for the creation of enantiomerically pure substances, which are crucial for the development of effective and safe medications.
Used in Material Science:
In material science, (S,S)-N-Benzyl-3,4-trans-dimesolate pyrrolidine can be incorporated into the design of new materials with unique properties. Its molecular structure may contribute to the development of advanced materials for use in various industries, such as electronics, coatings, and plastics.

Check Digit Verification of cas no

The CAS Registry Mumber 104351-40-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,4,3,5 and 1 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 104351-40:
(8*1)+(7*0)+(6*4)+(5*3)+(4*5)+(3*1)+(2*4)+(1*0)=78
78 % 10 = 8
So 104351-40-8 is a valid CAS Registry Number.

104351-40-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name (S,S)-N-BENZYL-3,4-TRANS-DIMESOLATE PYRROLIDINE

1.2 Other means of identification

Product number -
Other names 1-tert-butyl ester (3S,4S)-4-phenyl-piperidine-1,3-dicarboxylate

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:104351-40-8 SDS

104351-40-8Relevant articles and documents

Design of a C2-symmetric chiral pyrrolidine-based amino sulfonamide: application to anti-selective direct asymmetric Mannich reactions

Kano, Taichi,Hato, Yoshio,Maruoka, Keiji

, p. 8467 - 8469 (2006)

The anti-selective direct asymmetric Mannich reaction was found to be efficiently catalyzed by the novel pyrrolidine-based amino sulfonamide (R,R)-2 prepared from l-tartaric acid.

PYRROLIDINYL UREA DERIVATIVES AND APPLICATION THEREOF IN TRKA-RELATED DISEASES

-

Paragraph 0080; 0083; 0084, (2021/05/21)

The present invention relates to a class of TrkA inhibitors and an application thereof in the preparation of a drug for the treatment of diseases associated with TrkA. The present invention specifically discloses compounds represented by formula (I) and f

Investigation of stereoisomeric bisarylethenesulfonic acid esters for discovering potent and selective PTP1B inhibitors

Xie, Fangzhou,Yang, Fengzhi,Liang, Yaoyao,Li, Liang,Xia, Yu,Jiang, Faqin,Liu, Wenlu,Qi, Yunyue,Chowdhury, Sharmin Reza,Xie, Dongsheng,Fu, Lei

, p. 408 - 422 (2019/01/08)

Protein tyrosine phosphatase 1B (PTP1B) has been considered as a promising therapeutic target for type 2 diabetes mellitus (T2DM) and obesity due to its key regulating effects in insulin signaling and leptin receptor pathways. In this work, a series of cis- and trans-pyrrolidine bisarylethenesulfonic acid esters were prepared and their PTP1B inhibitory potency, selectivity and membrane permeability were evaluated. These novel stereoisomeric molecules especially trans-isomers exhibited remarkable inhibitory activity, significant selectivity as well as good membrane permeability (e.g. compound 28a, IC50 = 120, 1940 and 2670 nM against PTP1B, TCPTP and SHP2 respectively, and Papp = 1.74 × 10?6 cm/s). Molecular simulations indicated that trans-pyrrolidine bisarylethenesulfonic acid esters yielded the stronger binding affinity than their cis-isomers by constructing more interactions with non-catalytic sites of PTP1B. Further biological activity studies revealed that compound 28a could enhance insulin-stimulated glucose uptake and insulin-mediated insulin receptor β (IRβ) phosphorylation with no significant cytotoxicity.

Novel PTP1B enzyme inhibitor, preparation method and applications thereof

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Paragraph 0083; 0188-0189, (2017/08/31)

The present invention provides a novel PTP1B enzyme inhibitor, a preparation method and applications thereof, and particularly discloses a class of bis 2-substituted ethylene sulfonate compounds and a preparation method thereof, and uses of the bis 2-substituted ethylene sulfonate compounds as the PTP1B enzyme activity inhibitor. According to the present invention, the prepared novel compound has good PTP1B enzyme activity inhibition effect, and has the application value in preparation of drugs for treatment and prevention of diabetes and obesity.

A process for preparing optically active aldehyde or ketone method and catalyst preparation method

-

Paragraph 0076; 0077, (2017/04/07)

The invention provides a method for preparing optically active aldehyde or ketone by asymmetric hydrogenation and a preparation method of a catalyst thereof. The optically active aldehyde or ketone is prepared by using a homogeneous and optically active double transition metal catalyst and a chiral amino acid cocatalyst through asymmetric hydrogenation of alpha, beta-unsaturated aldehyde or ketone. The reaction pressure (absolute pressure) is 0.1-10MPa, preferably 5-8MPa; the reaction temperature is 25-90 DEG C; the catalyst is prepared from chiral multi-coordination phosphine-containing ligands and transition metals; chiral amino acid added to the reaction system serves as a cocatalyst; and the reaction selectivity is 95-99%, the conversion rate can reach 85-99.9%, and the optical purity of the product is 80-99ee%.

1-((3S,4S)-4-Amino-1-(4-substituted-1,3,5-triazin-2-yl) pyrrolidin-3-yl)-5,5-difluoropiperidin-2-one inhibitors of DPP-4 for the treatment of type 2 diabetes

Andrews, Kim M.,Beebe, David A.,Benbow, John W.,Boyer, David A.,Doran, Shawn D.,Hui, Yu,Liu, Shenping,McPherson, R. Kirk,Neagu, Constantin,Parker, Janice C.,Piotrowski, David W.,Schneider, Steven R.,Treadway, Judith L.,Vanvolkenberg, Maria A.,Zembrowski, William J.

scheme or table, p. 1810 - 1814 (2011/05/11)

A 3-amino-4-substituted pyrrolidine series of dipeptidyl peptidase IV (DPP-4) inhibitors was rapidly developed into a candidate series by identification of a polar valerolactam replacement for the lipophilic 2,4,5-trifluorophenyl pharmacophore. The additi

Asymmetric addition of diethylzinc to ketones promoted by tartaric acid derivatives

Hui, Ailing,Zhang, Jintang,Wang, Zhiyong

, p. 2374 - 2384 (2008/09/21)

The preparation of new sulfonamide ligands derived from L-tartaric acid and camphor sulfonyl chloride are described. The employment in the titanium tetraisopropoxide-promoted enantioselective addition of diethylzinc to ketones has been studied. The best enantiomeric excess is up to 99% with 7 mol% catalyst loading at room temperature. Copyright Taylor & Francis Group, LLC.

anti-Selective direct asymmetric Mannich reactions catalyzed by chiral pyrrolidine-based amino sulfonamides

Kano, Taichi,Hato, Yoshio,Yamamoto, Akihiro,Maruoka, Keiji

, p. 1197 - 1203 (2008/09/18)

The novel pyrrolidine-based amino sulfonamides (R,R)-2, (S)-3, and (S)-4 were designed and synthesized as organocatalysts and successfully applied for the anti-selective direct asymmetric Mannich reaction.

Diamine derivatives

-

, (2008/06/13)

A compound represented by the general formula (1): Q1-Q2-T0-N(R1)-Q3-N(R2)-T1-Q4??(1) wherein R1 and R2 are hydrogen atoms or the like; Q1 is a saturated or unsaturated, 5- or 6-membered cyclic hydrocarbon group which may be substituted, or the like; Q2 is a single bond or the like; Q3 is a group in which Q5 is an alkylene group having 1 to 8 carbon atoms, or the like; and T0 and T1 are carbonyl groups or the like; a salt thereof, a solvate thereof, or an N-oxide thereof. The compound is useful as an agent for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

DIAMINE DERIVATIVES

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Page 150, (2008/06/13)

A compound represented by the general formula (1):Q1-Q2-T0-N(R1)-Q3-N(R2)-T1-Q4 wherein R1 and R2 are hydrogen atoms or the like; Q1 is a saturated or unsaturated, 5- or 6- membered cyclic hydrocarbon group which may be substituted, or the like; Q2 is a single bond or the like; Q3 is a group in which Q5 is an alkylene group having 1 to 8 carbon atoms, or the like; and T0 and T1 are carbonyl groups or the like; a salt thereof, a solvate thereof, or an N-oxide thereof. The compound is useful as an agent for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism, Buerger's disease, deep venous thrombosis, disseminated intravascular coagulation syndrome, thrombus formation after valve or joint replacement, thrombus formation and reocclusion after angioplasty, systemic inflammatory response syndrome (SIRS), multiple organ dysfunction syndrome (MODS), thrombus formation during extracorporeal circulation, or blood clotting upon blood drawing.

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