1-amino-4,4-difluorocyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-amino-4,4-difluorocyclohexanecarboxylic acid
• CAS No.: 1240529-10-5
• Molecular Formula: C₇H₁₁F₂NO₂
• Molecular Weight: 179.167
• Hs Code.: 2922498590
• Mol file: 1240529-10-5.mol

Synonyms:1-amino-4,4-difluorocyclohexanecarboxylic acid

Chemical Property of 1-amino-4,4-difluorocyclohexanecarboxylic acid

Chemical Property:

• Boiling Point: 275.3±40.0 °C(Predicted)
• PKA: 2.18±0.48(Predicted)
• Density: 1.32±0.1 g/cm3(Predicted)

Purity/Quality:

99% ^*data from raw suppliers

1-Amino-4,4-difluorocyclohexane-1-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-amino-4,4-difluorocyclohexanecarboxylic acid

There total 6 articles about 1-amino-4,4-difluorocyclohexanecarboxylic acid 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: 50.0%

di-tert-butyl dicarbonate (24424-99-5) + 8,8-difluoro-1,3-diazaspiro[4.5]decane-2,4-dione (1393823-97-6) → 1-amino-4,4-difluorocyclohexanecarboxylic acid (1240529-10-5)

Guidance literature:

di-tert-butyl dicarbonate; 8,8-difluoro-1,3-diazaspiro[4.5]decane-2,4-dione; With dmap; triethylamine; In 1,2-dimethoxyethane; for 36h;

With potassium hydroxide; In 1,2-dimethoxyethane; water; at 20 ℃; for 24h;

DOI:10.1016/j.tet.2013.03.072

Reference yield: 45.0%

di(tert-butyl)-8,8-difluoro-2,4-dioxo-1,3-diazaspiro[4.5]decane-1,3-dicarboxylate (1430854-21-9) → C13H18F2N2O4 (1430854-22-0) + 1-amino-4,4-difluorocyclohexanecarboxylic acid (1240529-10-5)

Guidance literature:

With potassium hydroxide; In 1,2-dimethoxyethane; water; at 20 ℃; for 12h;

DOI:10.1016/j.tet.2013.03.072

Reference yield:

8,8-difluoro-1,3-diazaspiro[4.5]decane-2,4-dione (1393823-97-6) → 1-amino-4,4-difluorocyclohexanecarboxylic acid (1240529-10-5)

Guidance literature:

With water; potassium hydroxide; Inert atmosphere; Reflux;

upstream raw materials:

di-tert-butyl dicarbonate

8,8-difluoro-1,3-diazaspiro[4.5]decane-2,4-dione

di(tert-butyl)-8,8-difluoro-2,4-dioxo-1,3-diazaspiro[4.5]decane-1,3-dicarboxylate

4,4-difluorocyclohexanone

Refernces

• 1、 Mykhailiuk, Pavel K.,Starova, Viktoriia,Iurchenko, Vladimir,Shishkina, Svitlana V.,Shishkin, Oleg V.,Khilchevskyi, Oleksandr,Zaporozhets, Olga. "1-Amino-4,4-difluorocyclohexanecarboxylic acid as a promising building block for drug discovery: Design, synthesis and characterization". . p. 4066 - 4075. Retrieved 2013/06/26.