3,3-Difluoropyrrolidine

Base Information

• Chemical Name: 3,3-Difluoropyrrolidine
• CAS No.: 316131-01-8
• Molecular Formula: C4H7 F2 N
• Molecular Weight: 107.103
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10382324
• Nikkaji Number: J2.211.886B
• Wikidata: Q82173649
• ChEMBL ID: CHEMBL2448949
• Mol file: 316131-01-8.mol

Synonyms:3,3-difluoropyrrolidine;316131-01-8;3,3-DIFLUORO-PYRROLIDINE;SCHEMBL91644;CHEMBL2448949;DTXSID10382324;MDTIGWGOHUCROL-UHFFFAOYSA-N;PAKJUPXQPWYECV-UHFFFAOYSA-N;RGALMPQWJZNZBJ-UHFFFAOYSA-N;AMY15564;MFCD09033654;3,3-difluoro-pyrrolidine, AldrichCPR;AKOS005064053;AB49393;BS-12765;CS-0183400;FT-0729311;EN300-150322;I11425;A852806;J-511075;F2148-2179

Chemical Property of 3,3-Difluoropyrrolidine

Chemical Property:

• Vapor Pressure: 72.6mmHg at 25°C
• Refractive Index: 1.39
• Boiling Point: 84.4°Cat760mmHg
• PKA: 6.86±0.10(Predicted)
• Flash Point: 4.8°C
• PSA: 12.03000
• Density: 1.13g/cm³
• LogP: 0.94380
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 107.05465555
• Heavy Atom Count: 7
• Complexity: 72.1

Purity/Quality:

97% ^*data from raw suppliers

3,3-DIFLUORO-PYRROLIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC1(F)F

Technology Process of 3,3-Difluoropyrrolidine

There total 2 articles about 3,3-Difluoropyrrolidine 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:

3,3-Difluoro-1-pyrrolidinecarboxylic acid,1,1-dimethylethyl ester (195447-25-7) → 3,3-difluoropyrrolidine (316131-01-8)

Guidance literature:

With hydrogenchloride; In diethyl ether; ethyl acetate; at 20 ℃; for 3h;

Reference yield:

benzyl 3,3-difluoropyrrolidine-1-carboxylate (163457-22-5) → 3,3-difluoropyrrolidine (316131-01-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/j.bmcl.2003.12.040

Reference yield: 96.0%

(βS)-4-bromo-N-(tert-butoxycarbonyl)-β-[(1E)-prop-1-en-1-yl]-L-phenylalanine (690258-03-8) + 3,3-difluoropyrrolidine (316131-01-8) → (2S,3S,4E)-3-(4-bromophenyl)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxohex-4-en-2-N-(tert-butoxycarbonyl)amine (690258-04-9)

Guidance literature:

With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1021/jm060015t

upstream raw materials:

benzyl 3,3-difluoropyrrolidine-1-carboxylate

3,3-Difluoro-1-pyrrolidinecarboxylic acid,1,1-dimethylethyl ester

Downstream raw materials:

(2S,3S,4E)-3-(4-bromophenyl)-1-(3,3-difluoropyrrolidin-1-yl)-1-oxohex-4-en-2-N-(tert-butoxycarbonyl)amine

C₂₄H₂₈F₅N₅O₂

C₂₇H₃₁ClF₂N₂O₆

C₂₆H₃₀F₂N₂