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(R)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is a chemical compound with the molecular formula C10H19NO2S. It is a tert-butyl ester derivative of (R)-2-thiocarbamoyl-pyrrolidine-1-carboxylic acid, known for its role in organic synthesis and pharmaceutical research. (R)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER has been studied for its potential medical applications, and its unique properties make it a suitable intermediate in the synthesis of various biologically active molecules. However, it is crucial to handle this chemical with care due to its potential health and environmental hazards if not used and disposed of responsibly.

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  • 1-Pyrrolidinecarboxylicacid, 2-(aminothioxomethyl)-, 1,1-dimethylethyl ester, (2R)-

    Cas No: 117175-41-4

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  • 117175-41-4 Structure
  • Basic information

    1. Product Name: (R)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    2. Synonyms: 2S-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;(R)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;TERT-BUTYL2(R)-THIOCARBAMOYLPYRROLIDINE-1-CARBOXYLATE
    3. CAS NO:117175-41-4
    4. Molecular Formula: C10H18N2O2S
    5. Molecular Weight: 230.33
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 117175-41-4.mol
  • Chemical Properties

    1. Melting Point: 200-201 °C
    2. Boiling Point: 339.5±52.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.191±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 12.98±0.20(Predicted)
    10. CAS DataBase Reference: (R)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: (R)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(117175-41-4)
    12. EPA Substance Registry System: (R)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(117175-41-4)
  • 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: 117175-41-4(Hazardous Substances Data)

117175-41-4 Usage

Uses

Used in Organic Synthesis:
(R)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is used as a key intermediate in organic synthesis for the production of various chemical compounds. Its unique structure allows for versatile reactions, making it a valuable component in the creation of new molecules with specific properties.
Used in Pharmaceutical Research:
In the pharmaceutical industry, (R)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is used as a precursor in the development of new drugs. Its potential medical applications are being explored, and it may contribute to the synthesis of biologically active molecules with therapeutic effects.
Used in the Synthesis of Biologically Active Molecules:
(R)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is utilized as a building block in the synthesis of biologically active molecules. Its properties enable the creation of compounds with specific biological activities, which can be further studied and potentially developed into new pharmaceutical agents.

Check Digit Verification of cas no

The CAS Registry Mumber 117175-41-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,1,7 and 5 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 117175-41:
(8*1)+(7*1)+(6*7)+(5*1)+(4*7)+(3*5)+(2*4)+(1*1)=114
114 % 10 = 4
So 117175-41-4 is a valid CAS Registry Number.

117175-41-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name (R)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

1.2 Other means of identification

Product number -
Other names Boc-L-Pyroglutaminol

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:117175-41-4 SDS

117175-41-4Relevant articles and documents

Synthetic Studies on Alotamide A: Construction of N-Demethylalotamide A

Domínguez, Marta,Román, David,Souto, José A.,de Lera, ángel R.

, p. 6057 - 6070 (2021/12/10)

Several approaches to the synthesis of cyclodepsipeptide natural product alotamide A are described, eventually affording a very advanced N-demethylated analogue of the targeted natural product. The difficulties found in our endeavors on the synthesis of alotamide A have allowed us to gather some valuable information regarding the most convenient synthetic step for each key transformation. The intramolecular Csp2?Csp2 Stille cross-coupling and the macrolactam formation were found to be reliable protocols for the final construction of the alotamide A skeleton.

HMG-COA REDUCTASE DEGRADATION INDUCING COMPOUND

-

Paragraph 661-664, (2021/10/11)

The present invention relates HMG-CoA reductase degradation inducing compounds. Specifically, the present invention relates a bifunctional compound in which a HMG-CoA reductase binding moiety and an E3 ubiquitin ligase-binding moiety are linked by a chemical linker. The present invention also relates a method for preparing the compounds, and a method for degradation of HMG-CoA reducatase using the compounds, as well as use for prevention or treatment of HMG-CoA reductase related diseases using the compounds.

MDM2 DEGRADERS AND USES THEREOF

-

Paragraph 001326; 001327-001328, (2021/09/26)

The present invention relates to compounds and methods useful for the modulation of mouse double minute 2 homolog ("MDM2") protein via ubiquitination and/or degradation by compounds according to the present invention.

BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY

-

Paragraph 0461-0462, (2021/05/15)

The present invention relates to compounds of formula (I) useful for degrading BTK via a ubiquitin proteolytic pathway. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders.

IRAK DEGRADERS AND USES THEREOF

-

Paragraph 00920; 002242-002244, (2021/01/23)

The present invention provides compounds, compositions thereof, and methods of using the same. The compounds include an IRAK binding moiety capable of binding to IRAK4 and a degradation inducing moiety (DIM). The DIM could be DTM a ligase binding moiety (LBM) or lysine mimetic. The compounds could be useful as IRAK protein kinase inhibitors and applied to IRAK mediated disorders.

(S)-4/5-phenyl-2-(pyrrolidin-2-yl)thiazole TRPV1 antagonists as well as preparation and application thereof

-

, (2020/07/28)

The invention discloses (S)-4/5-phenyl-2-(pyrrolidin-2-yl)thiazole novel TRPV1 antagonists as well as a preparation method and application thereof, and particularly relates to compounds represented bya general formula (I) or a general formula (II) and a pharmaceutically acceptable salt thereof. The compound have a strong analgesic effect, the activity of part of the compounds is far higher than that of a TRPV1 receptor antagonist BCTC, almost no body temperature rise side effect exists, and the invention further relates to a preparation method of the compounds and pharmaceutical preparationscontaining the compounds.

IRAK DEGRADERS AND USES THEREOF

-

Paragraph 00962; 001086-001088, (2020/06/19)

The present invention provides compounds, compositions thereof, and methods of using the same.

BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY

-

Paragraph 0932; 0933; 0934, (2020/05/21)

The present invention relates to compounds useful for degrading BTK via a ubiquitin proteolytic pathway. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders.

IRAK DEGRADERS AND USES THEREOF

-

Paragraph 3592; 3593, (2019/07/10)

The present invention provides compounds, compositions thereof, and methods of using the same.

MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE

-

, (2019/10/29)

The present disclosure relates to bifunctional compounds, which find utility as modulators of Kirsten rat sarcoma protein (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a Von Hippel-Lindau, cereblon, Inhibitors of Apotosis Proteins or mouse double-minute homolog 2 ligand which binds to the respective E3 ubiquitin ligase and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation, accumulation, and/or overactivation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

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