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PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER is a chemical compound that is classified as an ester. Ester compounds are known for the distensible bonds between carbons and are commonly used in polymerization processes in the production of plastics. This specific compound, featuring both pyrrolidine and carboxylic acid groups, suggests versatile properties including potential roles in pharmaceutical and chemical manufacturing due to its contained functional groups that allow it to participate in various chemical reactions. The tert-butyl and methyl ester indicate that PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER is a derivative of carboxylic acid, making it an important chemical in many fields, such as biochemistry, medical, industrial, and more. It is crucial to handle PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER with care, adhering strictly to safety precautions due to its reactive nature.

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  • 145681-01-2 Structure
  • Basic information

    1. Product Name: PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER
    2. Synonyms: Methyl 1-Boc-2-pyrrolidinecarboxylate;1-Boc-2-pyrrolidinecarboxylic acid Methyl ester;t-BOC-L-Pro-OMe;Boc-DL-proline Methyl ester;1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-diMethylethyl) 2-Methyl ester
    3. CAS NO:145681-01-2
    4. Molecular Formula: C11H19NO4
    5. Molecular Weight: 229.27
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 145681-01-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 288.6±33.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.120±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: -3.35±0.40(Predicted)
    10. CAS DataBase Reference: PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER(CAS DataBase Reference)
    11. NIST Chemistry Reference: PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER(145681-01-2)
    12. EPA Substance Registry System: PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER(145681-01-2)
  • 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: 145681-01-2(Hazardous Substances Data)

145681-01-2 Usage

Uses

Used in Pharmaceutical Industry:
PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its versatile functional groups enable it to participate in a wide range of chemical reactions, making it a valuable component in the development of new drugs.
Used in Chemical Manufacturing:
PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER is used as a key component in the production of various chemicals. Its presence in the synthesis process allows for the creation of a diverse array of chemical products, contributing to the versatility of the final products.
Used in Biochemistry Research:
PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER is used as a research tool in biochemistry, where its unique structure and reactivity can be studied to better understand the mechanisms of various biochemical processes. This can lead to advancements in our understanding of biological systems and the development of new therapeutic strategies.
Used in Industrial Applications:
PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 2-METHYL ESTER is used in various industrial processes, particularly in the production of plastics and polymers. Its involvement in polymerization processes contributes to the creation of materials with specific properties, such as strength, flexibility, and durability, which are essential in a wide range of applications.

Check Digit Verification of cas no

The CAS Registry Mumber 145681-01-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,4,5,6,8 and 1 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 145681-01:
(8*1)+(7*4)+(6*5)+(5*6)+(4*8)+(3*1)+(2*0)+(1*1)=132
132 % 10 = 2
So 145681-01-2 is a valid CAS Registry Number.

145681-01-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylate

1.2 Other means of identification

Product number -
Other names 1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-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:145681-01-2 SDS

145681-01-2Relevant articles and documents

Design and Synthesis of 56 Shape-Diverse 3D Fragments

Atobe, Masakazu,Blakemore, David C.,Bond, Paul S.,Chan, Ngai S.,De Fusco, Claudia,Downes, Thomas D.,Firth, James D.,Hubbard, Roderick E.,Jones, S. Paul,Klein, Hanna F.,O'Brien, Peter,Roughley, Stephen D.,Vidler, Lewis R.,Waddelove, Laura,Whatton, Maria Ann,Wheldon, Mary C.,Woolford, Alison J.-A.,Wrigley, Gail L.

supporting information, (2020/07/13)

Fragment-based drug discovery is now widely adopted for lead generation in the pharmaceutical industry. However, fragment screening collections are often predominantly populated with flat, 2D molecules. Herein, we describe a workflow for the design and synthesis of 56 3D disubstituted pyrrolidine and piperidine fragments that occupy under-represented areas of fragment space (as demonstrated by a principal moments of inertia (PMI) analysis). A key, and unique, underpinning design feature of this fragment collection is that assessment of fragment shape and conformational diversity (by considering conformations up to 1.5 kcal mol?1 above the energy of the global minimum energy conformer) is carried out prior to synthesis and is also used to select targets for synthesis. The 3D fragments were designed to contain suitable synthetic handles for future fragment elaboration. Finally, by comparing our 3D fragments with six commercial libraries, it is clear that our collection has high three-dimensionality and shape diversity.

Anti-tumor diazo dicyclic apoptosis protein inhibitor

-

Paragraph 0095-0098, (2019/08/01)

The invention provides a novel apoptosis protein inhibitor or pharmaceutically acceptable salts and isomers as well as preparation methods thereof and a pharmaceutical composition. The definition of each group is shown in the description. The invention further provides application of the compound and pharmaceutically acceptable salts and isomers thereof to preparation of medicines for treating IAP(Immimmunosuppressive Acidic Protein) related diseases. The compound disclosed by the invention has high binding affinity to XIAP, cIAP1 and cIAP2 proteins, has an excellent inhibiting effect on cellgrowth in MDA-MB-231 breast cancer and PC-3 pancreatic cancer cell lines, and also has high medicinal value and wide market prospects.

2-PYRROLIDINE PHENYLHYDRAZIDES ANTIBACTERIAL AGENTS

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Page/Page column 57-58, (2018/02/28)

2-Pyrrolidine phenylhydrazides antibacterial agents The present invention relates to 2-pyrrolidine phenylhydrazide compounds of formula (I), which are selective antibacterials specifically agalnstAcineto barter baumannii.The invention also relates to their therapeutic use as antibacterials, to a process for their preparation and to pharmaceutical compositions containing them.

Photoredox-Mediated Direct Cross-Dehydrogenative Coupling of Heteroarenes and Amines

Dong, Jianyang,Xia, Qing,Lv, Xueli,Yan, Changcun,Song, Hongjian,Liu, Yuxiu,Wang, Qingmin

supporting information, p. 5661 - 5665 (2018/09/21)

A photoredox-mediated direct cross-dehydrogenative coupling reaction to accomplish α-aminoalkylation of N-heteroarenes is reported. This mild reaction has a broad substrate scope, offers the first general method for synthesis of aminoalkylated N-heteroarenes without the need for substrate prefunctionalization, and is scalable to the gram level. Furthermore, the reaction was found to be applicable to other hydrogen donors besides amines (i.e., ethers, an aldehyde, a formamide, p-xylene, and alkanes), thus enabling the preparation of N-heteroarenes bearing various types of substituents.

SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH

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Paragraph 00144, (2016/06/28)

Provided herein are methods for treating and preventing malaria and/or Babesiosis, the methods comprising administering an effective amount of Indazole Compounds having the formulas: (I)[Formula (I) should be inserted here] or (II)[Formula (II) should be inserted here] wherein R1, R2, R3 and Y are as defined herein.

SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS

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Paragraph 0376, (2017/05/27)

There are provided inter alia multisubstituted aromatic compounds useful for the inhibition of thrombin and/or kallikrein, which compounds include substituted pyrazolyl. There are additionally provided pharmaceutical compositions. There are additionally provided methods of treating and preventing certain diseases or disorders, which diseases or disorders are amenable to treatment or prevention by the inhibition of thrombin and/or kallikrein.

SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF

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Paragraph 00272; page 113, (2014/08/19)

Disclosed are compounds having enhanced potency in the modulation of NMDA receptor activity. Such compounds are contemplated for use in the treatment of conditions such as depression and related disorders. Orally available formulations and other pharmaceutically acceptable delivery forms of the compounds, including intravenous formulations, are also disclosed.

SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF

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Paragraph 00111, (2014/08/19)

Disclosed are compounds having enhanced potency in the modulation of NMD A receptor activity. Such compounds are contemplated for use in the treatment of conditions such as depression and related disorders. Orally available formulations and other pharmaceutically acceptable delivery forms of the compounds, including intravenous formulations, are also disclosed.

SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF

-

Paragraph 00110, (2014/08/19)

Disclosed are compounds having enhanced potency in the modulation of NMD A receptor activity. Such compounds are contemplated for use in the treatment of conditions such as depression and related disorders. Orally available formulations and other pharmaceutically acceptable delivery forms of the compounds, including intravenous formulations, are also disclosed.

SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF

-

Paragraph 0134, (2014/08/19)

Disclosed are compounds having enhanced potency in the modulation of NMDA receptor activity. Such compounds are contemplated for use in the treatment of conditions such as depression and related disorders. Orally available formulations and other pharmaceutically acceptable delivery forms of the compounds, including intravenous formulations, are also disclosed.

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