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(3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid is a chiral chemical compound with the molecular formula C9H17NO2. It is a derivative of pyrrolidine, a five-membered nitrogen-containing heterocycle, featuring an isobutyl substituent at the 4th carbon and a carboxylic acid functional group at the 3rd carbon. (3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid is notable for its two stereocenters, resulting in four possible stereochemical forms. Its unique structure and functional groups may endow it with potential applications in medicinal chemistry, biochemistry, and pharmaceutical research. Further research into its biological and pharmacological properties could reveal its capacity as a drug candidate or as a component in the synthesis of other bioactive compounds.

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  • 261896-39-3 Structure
  • Basic information

    1. Product Name: (3R,4R)-4-ISOBUTYLPYRROLIDINE-3-CARBOXYLIC ACID
    2. Synonyms: (3R,4R)-4-ISOBUTYLPYRROLIDINE-3-CARBOXYLIC ACID
    3. CAS NO:261896-39-3
    4. Molecular Formula: C9H17NO2
    5. Molecular Weight: 171.24
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 261896-39-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 286.863°C at 760 mmHg
    3. Flash Point: 127.29°C
    4. Appearance: /
    5. Density: 1.02g/cm3
    6. Vapor Pressure: 0.001mmHg at 25°C
    7. Refractive Index: 1.465
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (3R,4R)-4-ISOBUTYLPYRROLIDINE-3-CARBOXYLIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: (3R,4R)-4-ISOBUTYLPYRROLIDINE-3-CARBOXYLIC ACID(261896-39-3)
    12. EPA Substance Registry System: (3R,4R)-4-ISOBUTYLPYRROLIDINE-3-CARBOXYLIC ACID(261896-39-3)
  • 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: 261896-39-3(Hazardous Substances Data)

261896-39-3 Usage

Uses

Used in Medicinal Chemistry:
(3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid is used as a chiral building block for the synthesis of pharmaceuticals, leveraging its unique stereochemistry to create enantiomerically pure compounds with specific biological activities.
Used in Biochemistry:
In biochemistry, (3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid serves as a potential ligand or inhibitor, interacting with biological targets such as enzymes or receptors due to its distinct functional groups and stereochemistry.
Used in Pharmaceutical Research:
(3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid is utilized as a drug candidate in pharmaceutical research, where its biological properties are explored for therapeutic applications, potentially leading to the development of new medications.
Used in Drug Synthesis:
(3R,4R)-4-Isobutylpyrrolidine-3-carboxylic acid is employed as an intermediate in the synthesis of complex drug molecules, taking advantage of its reactive functional groups and chiral centers to construct diverse pharmaceutical agents.

Check Digit Verification of cas no

The CAS Registry Mumber 261896-39-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,6,1,8,9 and 6 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 261896-39:
(8*2)+(7*6)+(6*1)+(5*8)+(4*9)+(3*6)+(2*3)+(1*9)=173
173 % 10 = 3
So 261896-39-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H17NO2/c1-6(2)3-7-4-10-5-8(7)9(11)12/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t7-,8-/m0/s1

261896-39-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(2-methylpropyl)pyrrolidine-3-carboxylic acid

1.2 Other means of identification

Product number -
Other names (3S,4S)-4-ISOBUTYLPYRROLIDINE-3-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:261896-39-3 SDS

261896-39-3Downstream Products

261896-39-3Relevant articles and documents

Highly efficient catalytic system for enantioselective Michael addition of aldehydes to nitroalkenes in water

Zhu, Shaolin,Yu, Shouyun,Ma, Dawei

, p. 545 - 548 (2008/09/21)

(Chemical Equation Presented) Organocatalysis: A highly effective catalytic procedure for the Michael addition of aldehydes to nitroalkenes is achieved by combining the excellent asymmetric induction ability of o-TMS-protected diphenylprolinol compounds, the quick formation of enamines in the presence of benzoic acid, and the highly concentrated organic phase in water (see scheme; TMS=trimethylsilyl).

Branched alkyl pyrrolidine-3-carboxylic acids

-

, (2008/06/13)

Branched alkyl pyrrolidines of formula (I) are disclosed and are useful as agents in the treatment of epilepsy, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, panic, pain, and neuropatnological disorders. Processes for the preparation and intermediates useful in the preparation are also disclosed.

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