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1-Pyrrolidinecarboxylic acid, 2-(hydroxyMethyl)-4,4-diMethyl-, 1,1-diMethylethyl ester, (2S)-, commonly known as L-proline tert-butyl ester, is an ester derivative of the amino acid L-proline. It belongs to the class of pyrrolidinecarboxylic acids and is characterized by its unique structure and properties. 1-Pyrrolidinecarboxylic acid, 2-(hydroxyMethyl)-4,4-diMethyl-, 1,1-diMethylethyl ester, (2S)serves as a valuable intermediate in the synthesis of various pharmaceutical ingredients and biologically active compounds, making it a crucial component in organic synthesis and pharmaceutical research.

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  • (S)-tert-Butyl 2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate

    Cas No: 212890-86-3

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  • 1-Pyrrolidinecarboxylic acid, 2-(hydroxyMethyl)-4,4-diMethyl-, 1,1-diMethylethyl ester, (2S)-

    Cas No: 212890-86-3

  • USD $ 10.0-10.0 / Milligram

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  • 212890-86-3 Structure
  • Basic information

    1. Product Name: 1-Pyrrolidinecarboxylic acid, 2-(hydroxyMethyl)-4,4-diMethyl-, 1,1-diMethylethyl ester, (2S)-
    2. Synonyms: 1-Pyrrolidinecarboxylic acid, 2-(hydroxyMethyl)-4,4-diMethyl-, 1,1-diMethylethyl ester, (2S)-;(S)-tert-butyl 2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate;tert-butyl (S)-2-(hydroxymethyl)-4,4- dimethylpyrrolidine-1-carboxylate
    3. CAS NO:212890-86-3
    4. Molecular Formula: C12H23NO3
    5. Molecular Weight: 229.31592
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 212890-86-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 303.9±15.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.024±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 14.77±0.10(Predicted)
    10. CAS DataBase Reference: 1-Pyrrolidinecarboxylic acid, 2-(hydroxyMethyl)-4,4-diMethyl-, 1,1-diMethylethyl ester, (2S)-(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-Pyrrolidinecarboxylic acid, 2-(hydroxyMethyl)-4,4-diMethyl-, 1,1-diMethylethyl ester, (2S)-(212890-86-3)
    12. EPA Substance Registry System: 1-Pyrrolidinecarboxylic acid, 2-(hydroxyMethyl)-4,4-diMethyl-, 1,1-diMethylethyl ester, (2S)-(212890-86-3)
  • 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: 212890-86-3(Hazardous Substances Data)

212890-86-3 Usage

Uses

Used in Pharmaceutical Research:
1-Pyrrolidinecarboxylic acid, 2-(hydroxyMethyl)-4,4-diMethyl-, 1,1-diMethylethyl ester, (2S)is used as a chiral building block for the synthesis of various pharmaceutical ingredients and biologically active compounds. Its unique structure and properties make it a valuable intermediate in the production of drugs and other fine chemicals.
Used in Organic Synthesis:
In the field of organic synthesis, 1-Pyrrolidinecarboxylic acid, 2-(hydroxyMethyl)-4,4-diMethyl-, 1,1-diMethylethyl ester, (2S)is utilized as a key component in the synthesis of complex organic molecules. Its versatility and reactivity contribute to the development of novel compounds with potential applications in various industries.
Used in the Production of Fine Chemicals:
1-Pyrrolidinecarboxylic acid, 2-(hydroxyMethyl)-4,4-diMethyl-, 1,1-diMethylethyl ester, (2S)is also employed in the production of fine chemicals, where its unique properties and reactivity are harnessed to create high-quality specialty chemicals for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 212890-86-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,2,8,9 and 0 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 212890-86:
(8*2)+(7*1)+(6*2)+(5*8)+(4*9)+(3*0)+(2*8)+(1*6)=133
133 % 10 = 3
So 212890-86-3 is a valid CAS Registry Number.

212890-86-3SDS

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 tert-butyl (2S)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate

1.2 Other means of identification

Product number -
Other names (S)-N-BOC-2-HYDROXYMETHYL-4,4-DIMETHYLPYRROLIDINE

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:212890-86-3 SDS

212890-86-3Relevant articles and documents

MODULATORS OF HEMOGLOBIN FOR THE TREATMENT OF SICKLE CELL DISEASE

-

Paragraph 0312, (2020/05/15)

The present disclosure relates to compounds of the general formula (I) and pharmaceutical compositions containing them. The compounds are suitable as modulators of hemoglobin and thus useful in treating disorders mediated by hemoglobin such as sickle cell disease.

As hepatitis c inhibitor spiro compound and its use in medicine

-

, (2017/12/28)

The invention provides a spiro compound serving as a hepatitis c inhibitor and application thereof in a medicine. The compound is a compound as shown in a formula (I) or a stereisomer, a geometric isomer, a tautomer, nitric oxide, an aquo-complex, a solvate, a metabolite, pharmaceutically acceptable salt or prodrug of the compound as shown in the formula (I). The invention also provides a pharmaceutical composition containing the compound, application of the compound and the pharmaceutical composition in inhibition of HCV (Hepatitis C Virus) copy and HCV virus protein, as well as the application of the compound and the pharmaceutical composition in prevention, handling, treatment or relieving of HCV infection or hepatitis c disease for a patient. The formula I is as shown in the specification.

TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION

-

, (2012/04/17)

Tetracyclic indole derivatives of formula (I), pharmaceutically acceptable salts and the pharmaceutical compositions thereof are provided, wherein A, A', G, R1, R15, U, V, V, W, W, X, X', Y, Y' are as defined in the invention. Use of these derivatives for treating hepatitis C virus (HCV) infection is also provided.

FUSED TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES

-

, (2012/04/17)

The present invention discloses novel Fused Tetracyclic Heterocycle Compounds of Formula (I): and pharmaceutically acceptable salts thereof, wherein A, A', G, R1, R15, U, V, V', W, W', X, X', Y and Y' are as defined herein. The present invention also discloses compositions comprising at least one Fused Tetracyclic Heterocycle Compound, and methods of using the Fused Tetracyclic Heterocycle Compounds for treating or preventing HCV infection in a patient.

TETRACYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES

-

, (2012/04/17)

The present invention relates to novel Tetracyclic Indole Derivatives of Formula (I): and pharmaceutically acceptable salts thereof, wherein A, A', G, R1, R15, U, V, V', X, X', Y and Y' are as defined herein. The present invention also relates to compositions comprisingat least one Tetracyclic Indole Derivative, and methods of using the Tetracyclic Indole Derivatives for treating or preventing HCV infection in a patient.

TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION

-

, (2012/04/17)

Tetracyclic heterocycle compounds of formula (I) and pharmaceutically acceptable salts thereof are provided, wherein A, A', G, R1, R15, U, V, V', W, W, X, X', Y and Y' are as defined in the invention. The pharmaceutical compositions comprising these compounds and the use of the compounds for treating hepatitis C virus (HCV) infection are also provided.

FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES

-

, (2012/05/04)

The present invention relates to novel Fused Tetracycle Derivatives of Formula (I): and pharmaceutically acceptable salts thereof, wherein A, A', B, G, R1, U, V, W, W', X, X', Y and Y' are as defined herein. The present invention also relates to compositions comprising at least one Fused Tetracycle Derivative, and methods of using the Fused Tetracycle Derivatives for treating or preventing HCV infection in a patient.

An external chiral amidophosphine ligand for asymmetric conjugate addition of organocopper

Nakagawa, Yuichi,Kanai, Motomu,Nagaoka, Yasuo,Tomioka, Kiyoshi

, p. 10295 - 10307 (2007/10/03)

Two types of external, chiral amidophosphine ligands, 1-5, were prepared. Examination of their behavior in an asymmetric conjugate addition reaction of organocuprate revealed the possibility for steric tuning to realize high selectivity.

Structural requirements of an external, chiral amidophosphine ligand for asymmetric reaction of an organocopper reagent

Nakagawa, Yuichi,Kanai, Motomu,Nagaoka, Yasuo,Tomioka, Kiyoshi

, p. 7805 - 7808 (2007/10/03)

Three types of an external, chiral amide ligand, 2-6, were prepared and examination of their behavior in an asymmetric conjugate addition reaction of lithium dimethylcuprate with chalcone revealed to possibility for steric tuning to realize high selectivity.

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