tert-Butyl 3,3-difluoropyrrolidine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 3,3-difluoropyrrolidine-1-carboxylate
• CAS No.: 195447-25-7
• Molecular Formula: C₉H₁₅F₂NO₂
• Molecular Weight: 207.22
• Hs Code.: 2933998090
• European Community (EC) Number: 841-003-4
• DSSTox Substance ID: DTXSID70594946
• Wikidata: Q82489875
• Mol file: 195447-25-7.mol

Synonyms:195447-25-7;1-Boc-3,3-difluoropyrrolidine;tert-Butyl 3,3-difluoropyrrolidine-1-carboxylate;MFCD06797010;1-Pyrrolidinecarboxylicacid, 3,3-difluoro-, 1,1-dimethylethyl ester;N-t-BOC-3,3-Difluoropyrrolidine;SCHEMBL475749;DTXSID70594946;1-Pyrrolidinecarboxylic acid, 3,3-difluoro-, 1,1-dimethylethyl ester;AKOS015910895;CS-W001490;SB10015;AM807427;AS-67793;SY038526;N-t-BOC-3,3-Difluoropyrrolidine, AldrichCPR;EN300-195571;F1907-0039;3,3-difluoropyrrolidine-1-carboxylic acid tert-butyl ester

Chemical Property of tert-Butyl 3,3-difluoropyrrolidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.0823mmHg at 25°C
• Refractive Index: 1.4200
• Boiling Point: 226.3 °C at 760 mmHg
• Flash Point: 90.7 °C
• PSA: 29.54000
• Density: 1.15 g/cm³
• LogP: 2.20040
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 207.10708505
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

Boc-3,3-difluoropyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(C1)(F)F

Technology Process of tert-Butyl 3,3-difluoropyrrolidine-1-carboxylate

There total 5 articles about tert-Butyl 3,3-difluoropyrrolidine-1-carboxylate 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: 89.0%

di-tert-butyl dicarbonate (24424-99-5) + 3,3-difluoropyrrolidine hydrochloride (163457-23-6) → 3,3-Difluoro-1-pyrrolidinecarboxylic acid,1,1-dimethylethyl ester (195447-25-7)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃;

Reference yield: 71.0%

3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester (101385-93-7) → 3,3-Difluoro-1-pyrrolidinecarboxylic acid,1,1-dimethylethyl ester (195447-25-7)

Guidance literature:

With diethylamino-sulfur trifluoride; In benzene; at 0 - 20 ℃; for 72h;

Reference yield:

(R)-tert-butyl 3-hydroxypyrrolidine-1-carboxylate (109431-87-0,83220-73-9) → 3,3-Difluoro-1-pyrrolidinecarboxylic acid,1,1-dimethylethyl ester (195447-25-7)

Guidance literature:

Multi-step reaction with 2 steps

1: Dess-Martin periodane / dichloromethane / 0.2 h / 0 - 20 °C / Inert atmosphere

2: diethylamino-sulfur trifluoride / dichloromethane / 0.6 h / 0 °C / Inert atmosphere

With diethylamino-sulfur trifluoride; Dess-Martin periodane; In dichloromethane;

upstream raw materials:

3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester

di-tert-butyl dicarbonate

(R)-tert-butyl 3-hydroxypyrrolidine-1-carboxylate

3,3-difluoropyrrolidine hydrochloride

Downstream raw materials:

3,3-difluoropyrrolidine hydrochloride

3,3-difluoropyrrolidine

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 195447-25-7 1-BOC-3,3-DIFLUOROPYRROLIDINE

Send

Send

Metric Ton KG G Pound L ML

Send

Send