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1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID, commonly known as Boc-4-oxo-L-proline, is a chemical compound derived from proline, an essential amino acid. It is a white crystalline powder that is stable at room temperature and soluble in organic solvents. As a protecting group for the amine group in peptides and other organic molecules, it plays a crucial role in organic synthesis. Its unique chemical properties make it an important intermediate in the production of pharmaceuticals and agrochemicals, establishing its value in the field of organic synthesis.

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  • 876317-19-0 Structure
  • Basic information

    1. Product Name: 1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID
    2. Synonyms: 4-OXOPYRROLIDINE-2-CARBOXYLIC ACID, N-BOC PROTECTED;4-OXO-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER;1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID;4-Oxopyrrolidine-2-carboxylic acid, N-BOC protected 97%;BOC- 4-OXOPYRROLIDINE-2-CARBOXYLIC ACID;(2S)-1-TERT-BUTYL HYDROGEN 4-OXOPYRROLIDINE-1,2-DICARBOXYLATE
    3. CAS NO:876317-19-0
    4. Molecular Formula: C10H15NO5
    5. Molecular Weight: 229.23
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 876317-19-0.mol
  • Chemical Properties

    1. Melting Point: 155 °C
    2. Boiling Point: 390.756°C at 760 mmHg
    3. Flash Point: 190.123°C
    4. Appearance: /
    5. Density: 1.305g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.516
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 3.85±0.20(Predicted)
    11. CAS DataBase Reference: 1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID(876317-19-0)
    13. EPA Substance Registry System: 1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID(876317-19-0)
  • 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: 876317-19-0(Hazardous Substances Data)

876317-19-0 Usage

Uses

Used in Organic Synthesis:
1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID is used as a protecting group for the amine group in organic synthesis, ensuring the selective protection of the amine functionality during the synthesis of complex organic molecules.
Used in Pharmaceutical Production:
In the pharmaceutical industry, 1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID is used as an important intermediate for the synthesis of various drugs. Its unique chemical properties allow for the development of new pharmaceutical compounds with specific therapeutic effects.
Used in Agrochemical Production:
Similarly, in the agrochemical industry, 1-(TERT-BUTOXYCARBONYL)-4-OXOPYRROLIDINE-2-CARBOXYLIC ACID is utilized as a key intermediate for the synthesis of agrochemicals, contributing to the development of effective crop protection products and other agricultural applications.

Check Digit Verification of cas no

The CAS Registry Mumber 876317-19-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,6,3,1 and 7 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 876317-19:
(8*8)+(7*7)+(6*6)+(5*3)+(4*1)+(3*7)+(2*1)+(1*9)=200
200 % 10 = 0
So 876317-19-0 is a valid CAS Registry Number.
InChI:InChI=1/C10H15NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h7H,4-5H2,1-3H3,(H,13,14)

876317-19-0SDS

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-Butoxycarbonyl)-4-Oxopyrrolidine-2-Carboxylic Acid

1.2 Other means of identification

Product number -
Other names 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid

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:876317-19-0 SDS

876317-19-0Relevant articles and documents

5-tert-butyloxycarbonyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid synthesis method

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Paragraph 0008; 0016, (2016/10/31)

The present invention relates to a 5-tert-butyloxycarbonyl-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid synthesis method. In the prior art, the suitable industrial synthesis method does not exist. A purpose of the present invention is mainly to solve the technical problem in the prior art. The synthesis method comprises six steps, and specifically comprises that a compound 1 and Boc anhydride react under an alkaline condition to obtain a compound 2, the compound 2 is oxidized into a compound 3 by using a 2,2,6,6-tetramethyl piperidine oxide, the compound 3 reacts with a Grignard reagent to obtain a compound 4, the carboxylic acid 4 is reduced with lithium aluminum hydride to obtain a compound 5, the compound 5 reacts with n-butyl lithium and p-tosyl chloride in two stages to obtain a compound 6, and the compound 6 is oxidized with sodium periodate to obtain a final compound 7. The reaction formula is defined in the specification.

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