(S)-2-(2,5-Difluorophenyl)pyrrolidine

Base Information

• Chemical Name: (S)-2-(2,5-Difluorophenyl)pyrrolidine
• CAS No.: 1217630-38-0
• Molecular Formula: C₁₀H₁₁F₂N
• Molecular Weight: 183.201
• UNII: 4GW6SQ4DM7
• Mol file: 1217630-38-0.mol

Synonyms:(S)-2-(2,5-Difluorophenyl)pyrrolidine;1217630-38-0;(2S)-2-(2,5-difluorophenyl)pyrrolidine;Pyrrolidine, 2-(2,5-difluorophenyl)-, (2S)-;4GW6SQ4DM7;2-(2,5-Difluorophenyl)pyrrolidine, (S)-;UNII-4GW6SQ4DM7;SCHEMBL22917359;AM8985;MFCD07772585;AKOS006284130;AKOS015933463;BS-51526;CS-0060759;N10498

Chemical Property of (S)-2-(2,5-Difluorophenyl)pyrrolidine

Chemical Property:

• Boiling Point: 213.5±40.0 °C(Predicted)
• PKA: 9.02±0.10(Predicted)
• PSA: 12.03000
• Density: 1.164±0.06 g/cm3(Predicted)
• LogP: 2.71810
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 183.08595568
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

98% ^*data from raw suppliers

(S)-2-(2,5-Difluorophenyl)pyrrolidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(NC1)C2=C(C=CC(=C2)F)F
• Isomeric SMILES: C1C[C@H](NC1)C2=C(C=CC(=C2)F)F

Technology Process of (S)-2-(2,5-Difluorophenyl)pyrrolidine

There total 56 articles about (S)-2-(2,5-Difluorophenyl)pyrrolidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.7%

C20H18O8*C10H11F2N → (R)-(+)-2-(2,5-difluorophenyl)pyrrolidine (1218935-59-1,1217630-38-0)

Guidance literature:

With water; sodium hydroxide; In dichloromethane; for 0.166667h;

Reference yield: 98.3%

(R)-(+)-2-(2,5-difluorophenyl)pyrrolidine (R)-2-hydroxysuccinate (1919868-77-1) → (R)-(+)-2-(2,5-difluorophenyl)pyrrolidine (1218935-59-1,1217630-38-0)

Guidance literature:

With sodium hydroxide; In dichloromethane; water; at 0 - 15 ℃; for 0.166667h;

DOI:10.1002/chir.23366

Reference yield: 98.0%

(R)-tert-butyl 2-(2,5-difluorophenyl)pyrrolidine-1-carboxylate (1218935-58-0) → (R)-(+)-2-(2,5-difluorophenyl)pyrrolidine (1218935-59-1,1217630-38-0)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; for 2h;

upstream raw materials:

tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrole-1-carboxylate

para-difluorobenzene

(2R)-2-(2,5-difluorophenyl)pyrrolidine hydrochloride

2-bromo-1,4-difluorobenzene

Refernces

• 1、 W?glarz, Izabela,Michalak, Karol,Mlynarski, Jacek. "Zinc-Catalyzed Asymmetric Hydrosilylation of Cyclic Imines: Synthesis of Chiral 2-Aryl-Substituted Pyrrolidines as Pharmaceutical Building Blocks". supporting information. p. 1317 - 1321. Retrieved 2020/12/09.
• 2、 -. "METHODS FOR PREPARING TYROSINE RECEPTOR KINASE INHIBITORS". Paragraph 00460; 00463. . Retrieved 2021/10/22.