Pyrrolidine - ≥99% , CAS No.123-75-1

CAS: 123-75-1 Cat. No.: P108562 Formula: C₄H₉N Molecular Weight: 71.12 Beilstein Registry Number: 102395 EC Number: 204-648-7

GRADE & PURITY ≥99%

Synonyms

Pyrrolidine - high temperature phase at 165K | Pyrrollidine | Tetrahydropyrrole | UN1922 | pyrrolidine LT phase at 205K | Pyrrolidine, FG | UN 1922 | PYRROLIDINE [MI] | AI3-24117 | Pyrrolidine [UN1922] [Flammable liquid] | Pyrrolidine ring | Pyrrolidinep

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Overview

application：

Pyrrolidine has been used for the synthesis of N-benzoyl pyrrolidine from benzaldehyde via oxidative amination. It may be used as a catalyst for the synthesis of N-sulfinyl aldimines from carbonyl compounds and sulfonamides. Pyrrolidine can also be used to synthesize: Taddol-pyrrolidine phosphoramidite, a ligand for rhodium-catalyzed [2+2+2] cycloaddition of pentenyl isocyanate and 4- ethynylanisole. H,4 PyrrolidineQuin-BAM (′PBAM′), a selective catalyst for the aza-Henry addition of nitroalkanes to aryl aldimines.{88] 1,2,3,3a,4,9-Hexahydropyrrolo[2,1-b]quinazoline by reacting with o-aminobenzaldehyde.

Specifications

Synonyms

Pyrrolidine - high temperature phase at 165K | Pyrrollidine | Tetrahydropyrrole | UN1922 | pyrrolidine LT phase at 205K | Pyrrolidine, FG | UN 1922 | PYRROLIDINE [MI] | AI3-24117 | Pyrrolidine [UN1922] [Flammable liquid] | Pyrrolidine ring | Pyrrolidinep

Specifications & Purity

≥99%

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Purity

≥99%

Names and Identifiers

Pubchem Sid

508812900

Canonical Smiles

C1CCNC1

IUPAC Name

pyrrolidine

InChIKey

RWRDLPDLKQPQOW-UHFFFAOYSA-N

INCHI

1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2

Isomeric SMILES

C1CCNC1

WGK Germany

2

RTECS

UX9650000

UN Number

1922

Packing Group

II

Molecular Weight

71.12

Beilstein

102395

Reaxy-Rn

102395

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102395&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: pyrrolidines - azacycloalkane - saturated organic heteromonocyclic parent

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

SLC36A1 Tchem Proton-coupled amino acid transporter 1 (102 Activities)

Discover Target: SLC36A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Echinochloa crus-galli (3685 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with alcohol, ether, chloroform and water.
• Sensitivity: Light sensitive,Moisture sensitive
• Refractive Index: 1.4402
• Flash Point(°F): 37.4 °F
• Flash Point(°C): 2℃
• Boil Point(°C): 88.5-89°C
• Melt Point(°C): -63°C
• Molecular Weight: 71.120 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 71.0735 Da
• Monoisotopic Mass: 71.0735 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 22.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1