diisopropyl 3,3-difluorocyclobutane-1,1-dicarboxylate

Base Information

• Chemical Name: diisopropyl 3,3-difluorocyclobutane-1,1-dicarboxylate
• CAS No.: 1225532-89-7
• Molecular Formula: C12H18F2O4
• Molecular Weight: 264.2657264
• Hs Code.: 2917209090
• Mol file: 1225532-89-7.mol

Synonyms:diisopropyl 3,3-difluorocyclobutane-1,1-dicarboxylate;1,1-bis(propan-2-yl) 3,3-difluorocyclobutane-1,1-dicarboxylate;Bis(isopropyl)3,3-difluorocyclobutane-1,1-dicarboxylate

Chemical Property of diisopropyl 3,3-difluorocyclobutane-1,1-dicarboxylate

Chemical Property:

• Boiling Point: 257.4±40.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 2.30510
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diisopropyl3,3-Difluorocyclobutane-1,1-Dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of diisopropyl 3,3-difluorocyclobutane-1,1-dicarboxylate

There total 2 articles about diisopropyl 3,3-difluorocyclobutane-1,1-dicarboxylate 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: 65.0%

dipropan-2-yl 3-oxocyclobutane-1,1-dicarboxylate (893724-10-2) → diisopropyl 3,3-difluorocyclobutane-1,1-dicarboxylate (1225532-89-7)

Guidance literature:

With morpholinosulfur trifluoride; In dichloromethane; at 0 - 20 ℃; for 48h;

DOI:10.1002/ejoc.202000432

Reference yield:

3,3-dimethoxycyclobutane-1,1-dicarboxylic acid diisopropyl ester (115118-68-8) → diisopropyl 3,3-difluorocyclobutane-1,1-dicarboxylate (1225532-89-7)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid / dichloromethane / 2.5 h / 20 °C

2: (bis-(2-methoxyethyl)amino)sulfur trufluoride / dichloromethane; ethanol / 16 h / 20 °C

With trifluoroacetic acid; (bis-(2-methoxyethyl)amino)sulfur trufluoride; In ethanol; dichloromethane;

Reference yield:

diisopropyl 3,3-difluorocyclobutane-1,1-dicarboxylate (1225532-89-7) → 1-amino-3,3-difluorocyclobutane-1-carboxylic acid (1225532-86-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide; water / methanol / 0 - 20 °C

2.1: thionyl chloride / dichloromethane / 3 h / Reflux

2.2: 2 h / 0 °C

With thionyl chloride; water; sodium hydroxide; In methanol; dichloromethane;

upstream raw materials:

3,3-dimethoxycyclobutane-1,1-dicarboxylic acid diisopropyl ester

dipropan-2-yl 3-oxocyclobutane-1,1-dicarboxylate

Downstream raw materials:

1-amino-3,3-difluorocyclobutane-1-carboxylic acid

Refernces

• 1、 -. "SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE". . . Retrieved 2016/04/10.