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1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID is a complex organic chemical compound that belongs to the class of pyrrolines, which are five-membered rings containing one nitrogen atom. 1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID is characterized by the presence of a tert-butyl oxycarbonyl group, a phenyl group, and a carboxylic acid group as substituents. These specific functional groups may endow the compound with unique properties, making it a potential candidate for use as an intermediate in the synthesis of more complex molecules or pharmaceuticals.

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  • 221142-28-5 Structure
  • Basic information

    1. Product Name: 1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID
    2. Synonyms: 1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID;4-PHENYL-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER;trans-1-Boc-4-phenyl-3-pyrrolidinecarboxylic acid;Boc-trans-DL-b-Pro-4-(phenyl)-OH;Boc-(3R,4S)-trans-4-Phenyl-beta-proline;trans-N-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid;Trans (+/-) 1-[(tert-butyl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;trans-1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-3-carboxylic acid
    3. CAS NO:221142-28-5
    4. Molecular Formula: C16H21NO4
    5. Molecular Weight: 291.34
    6. EINECS: N/A
    7. Product Categories: pharmacetical
    8. Mol File: 221142-28-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 441.5°Cat760mmHg
    3. Flash Point: 220.8°C
    4. Appearance: /
    5. Density: 1.196g/cm3
    6. Vapor Pressure: 1.43E-08mmHg at 25°C
    7. Refractive Index: 1.548
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID(221142-28-5)
    12. EPA Substance Registry System: 1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID(221142-28-5)
  • 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: 221142-28-5(Hazardous Substances Data)

221142-28-5 Usage

Uses

1. Used in Pharmaceutical Industry:
1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID is used as a synthetic intermediate for the development of complex molecules and drugs. Its unique structure, featuring a tert-butyl oxycarbonyl group, a phenyl group, and a carboxylic acid group, may provide the necessary reactivity and stability required for the synthesis of advanced pharmaceutical compounds.
2. Used in Chemical Research:
In the field of chemistry, 1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID serves as a valuable research tool. Its distinct structural features allow chemists to explore various reaction pathways and mechanisms, potentially leading to the discovery of new chemical processes or the optimization of existing ones.

Check Digit Verification of cas no

The CAS Registry Mumber 221142-28-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,1,1,4 and 2 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 221142-28:
(8*2)+(7*2)+(6*1)+(5*1)+(4*4)+(3*2)+(2*2)+(1*8)=75
75 % 10 = 5
So 221142-28-5 is a valid CAS Registry Number.
InChI:InChI=1/C16H21NO4/c1-16(2,3)21-15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)

221142-28-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID

1.2 Other means of identification

Product number -
Other names 4-PHENYL-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER

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:221142-28-5 SDS

221142-28-5Downstream Products

221142-28-5Relevant articles and documents

HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6

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, (2021/09/04)

The present disclosure relates to compounds capable of modulating the activity of NR2F6. The compounds of the disclosure may be used in methods for the prevention and/or the treatment of diseases and disorders associated with modulating NR2F6 activity.

AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN

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Paragraph 0186; 0190, (2021/08/05)

The present invention relates to new compounds that show pharmacological activity towards the subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1 subunit of voltage-gated calcium channels or dual activity towards the subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1 subunit of voltage-gated calcium channels, and the μ-opiod receptor (MOR or mu-opioid). The invention is also related to the process for the preparation of said compounds as well as to compositions comprising them, and to their use as medicaments.

Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids

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Page/Page column 22; 23, (2008/06/13)

The present invention relates to a process for the preparation of cis substituted cyclic β-aryl or heteroaryl carboxylic acid derivatives in high diastereo- and enantioselectivity by enantioselective hydrogenation in accordance with the following scheme w

Pyrrolidine-carboxamides and oxadiazoles as potent hNK1 antagonists

Young, Jonathan R.,Eid, Ronsar,Turner, Cherilyn,DeVita, Robert J.,Kurtz, Marc M.,Tsao, Kwei-Lan C.,Chicchi, Gary G.,Wheeldon, Alan,Carlson, Emma,Mills, Sander G.

, p. 5310 - 5315 (2008/03/11)

The preparation and structure-activity-relationships of novel pyrrolidine-carboxamides and oxadiazoles are described. Compounds in this series were found to be potent hNK1 antagonists in vitro and efficacious in vivo with minimal interactions with P450 liver enzymes. Oxadiazole analog 22 was determined to have excellent hNK1 binding affinity, functional activity, and a good PD response in vivo.

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