tert-butyl 3,3-difluorocyclobutylcarbaMate

Base Information

• Chemical Name: tert-butyl 3,3-difluorocyclobutylcarbaMate
• CAS No.: 1029720-19-1
• Molecular Formula: C9H15F2NO2
• Molecular Weight: 207.2177064
• Hs Code.: 2924297099
• Mol file: 1029720-19-1.mol

Synonyms:tert-butyl 3,3-difluorocyclobutylcarbaMate;Carbamic acid, N-(3,3-difluorocyclobutyl)-,1,1-dimethylethyl ester;N-(3,3-Difluorocyclobutyl)carbamic acid 1,1-dimethylethyl ester

Chemical Property of tert-butyl 3,3-difluorocyclobutylcarbaMate

Chemical Property:

• Boiling Point: 254.0±40.0 °C(Predicted)
• PKA: 10.68±0.40(Predicted)
• PSA: 41.82000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 2.51320

Purity/Quality:

98% ^*data from raw suppliers

tert-Butyl(3,3-difluorocyclobutyl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-butyl 3,3-difluorocyclobutylcarbaMate

There total 7 articles about tert-butyl 3,3-difluorocyclobutylcarbaMate 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: 70.0%

3-(tert-butyloxycarbonylamino)cyclobutan-1-one (154748-49-9) → tert-butyl (3,3-difluorocyclobutyl)carbamate (1029720-19-1)

Guidance literature:

With diethylamino-sulfur trifluoride; In dichloromethane; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/jm5013598

Reference yield: 70.0%

3,3-difluorocyclobutanecarboxylic acid (107496-54-8) + tert-butyl alcohol (75-65-0) → tert-butyl (3,3-difluorocyclobutyl)carbamate (1029720-19-1)

Guidance literature:

With diphenyl phosphoryl azide; triethylamine; for 5h; Reflux;

Reference yield: 70.0%

→ tert-butyl (3,3-difluorocyclobutyl)carbamate (1029720-19-1)

Guidance literature:

With triethanolamine; diphenyl phosphoryl azide; In tert-butyl alcohol;

upstream raw materials:

3-(tert-butyloxycarbonylamino)cyclobutan-1-one

3,3-difluorocyclobutanecarboxylic acid

tert-butyl alcohol

3-oxocyclobutanecarboxylic acid

Downstream raw materials:

N-(3,3-difluorocyclobutyl)formamide

(4S)-N-(1-(2-Chlorophenyl)-2-(3,3-difluorocyclobutylamino)-2-oxoethyl)-N-(3-fluoro-phenyl)-2-oxooxazolidine-4-carboxamide

(S)-N-((R)-1-(2-chlorophenyl)-2-(3,3-difluorocyclobutylamino)-2-oxoethyl)-N-(3-fluorophenyl)-2-oxo-3-(pyrimidin-2-yl)oxazolidine-4-carboxamide

(S)-N-(1-(2-Chlorophenyl)-2-((3,3-difluorocyclobutyl)amino)-2-oxoethyl)-N-(3-fluoro-phenyl)-6-oxopiperidine-2-carboxamide

Refernces

• 1、 -. "COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY". Paragraph 1222-1223. . Retrieved 2017/01/31.
• 2、 -. "THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE". Page/Page column. . Retrieved 2015/02/19.