Cas no 886503-11-3 (2-(3,5-difluorophenyl)pyrrolidine)

2-(3,5-Difluorophenyl)pyrrolidine is a fluorinated pyrrolidine derivative with potential applications in pharmaceutical and agrochemical research. The presence of difluorophenyl and pyrrolidine moieties enhances its utility as a versatile intermediate in medicinal chemistry, particularly in the development of bioactive compounds. The fluorine substituents improve metabolic stability and binding affinity, making it valuable for drug discovery efforts targeting CNS and enzyme modulation. Its rigid pyrrolidine scaffold contributes to conformational restriction, aiding in the design of selective ligands. The compound’s synthetic flexibility allows for further functionalization, supporting structure-activity relationship studies. Suitable for use under controlled conditions, it requires handling in accordance with standard laboratory safety protocols.
2-(3,5-difluorophenyl)pyrrolidine structure
886503-11-3 structure
Product Name:2-(3,5-difluorophenyl)pyrrolidine
CAS No:886503-11-3
MF:C10H11F2N
MW:183.1978495121
MDL:MFCD06740446
CID:706619
PubChem ID:20117063
Update Time:2025-10-15

2-(3,5-difluorophenyl)pyrrolidine Chemical and Physical Properties

Names and Identifiers

    • Pyrrolidine, 2-(3,5-difluorophenyl)-
    • 2-(3,5-difluorophenyl)pyrrolidine
    • 2-(3,5-DIFLUORO-PHENYL)-PYRROLIDINE HYDROCHLORIDE
    • B-1527
    • FT-0761122
    • A26455
    • 886503-11-3
    • EN300-1069896
    • CS-0173244
    • AS-79278
    • N12968
    • SCHEMBL18704814
    • AKOS000155332
    • MFCD06740446
    • DTXSID50602679
    • SB44284
    • 2-(3,5-Difluorophenyl)pyrrolidine (ACI)
    • 2-(3,5-difluoro-phenyl)-pyrrolidine
    • DB-078098
    • SY253527
    • MDL: MFCD06740446
    • Inchi: 1S/C10H11F2N/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3H2
    • InChI Key: INAOTHVFVJELEL-UHFFFAOYSA-N
    • SMILES: FC1C=C(C2CCCN2)C=C(F)C=1

Computed Properties

  • Exact Mass: 183.08600
  • Monoisotopic Mass: 183.086
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 164
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 12A^2
  • XLogP3: 2

Experimental Properties

  • Density: 1.164
  • Boiling Point: 221℃
  • Flash Point: 88℃
  • PSA: 12.03000
  • LogP: 2.71810

2-(3,5-difluorophenyl)pyrrolidine Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(3,5-difluorophenyl)pyrrolidine Pricemore >>

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2-(3,5-difluorophenyl)pyrrolidine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Diisobutylaluminum hydride Solvents: Diethyl ether ;  1 h, 0 °C
1.2 24 h, -78 °C; -78 °C → 25 °C
1.3 Reagents: (Dimethyl sulfide)trihydroboron Solvents: Tetrahydrofuran ;  0 °C; 24 h, 25 °C
1.4 Reagents: Sodium hydroxide ,  Hydrogen peroxide Solvents: Methanol ,  Water ;  0 °C
1.5 Reagents: Thionyl chloride Solvents: 1,2-Dimethoxyethane ;  0 °C; 3 h, 25 °C
1.6 Reagents: Sodium hydroxide Solvents: Water ;  0 °C; 4 h, 25 °C
Reference
Synthesis of 2-substituted pyrrolidines from nitriles
Ramachandran, P. Veeraraghavan; Mitsuhashi, Wataru; Nicponski, Daniel R., Tetrahedron Letters, 2013, 54(37), 5001-5003

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Acetic acid ,  Methanol ;  1 h, rt
Reference
Rational drug design to explore the structure-activity relationship (SAR) of TRK inhibitors with 2,4-diaminopyrimidine scaffold
Wu, Tianxiao; Qin, Qiaohua; Liu, Nian ; Zhang, Chu; Lv, Ruicheng; et al, European Journal of Medicinal Chemistry, 2022, 230,

2-(3,5-difluorophenyl)pyrrolidine Raw materials

2-(3,5-difluorophenyl)pyrrolidine Preparation Products

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