1-AMino-3,3-difluoro-cycl...

Base Information

• Chemical Name: 1-AMino-3,3-difluoro-cycl...
• CAS No.: 1225532-86-4
• Molecular Formula: C₅H₇F₂NO₂
• Molecular Weight: 151.113
• Hs Code.: 2922499990
• Mol file: 1225532-86-4.mol

Synonyms:1-AMino-3,3-difluoro-cycl...;1-AMino-3,3-difluoro-cyclobutanecarboxylic acid;1-amino-3,3-difluorocyclobutane-1-carboxylic acid

Chemical Property of 1-AMino-3,3-difluoro-cycl...

Chemical Property:

• Melting Point: >220 °C
• Boiling Point: 243.4±40.0 °C(Predicted)
• PKA: 1.21±0.40(Predicted)
• PSA: 63.32000
• Density: 1.47±0.1 g/cm3(Predicted)
• LogP: 0.89790
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

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

1-Amino-3,3-difluorocyclobutanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-AMino-3,3-difluoro-cycl...

There total 4 articles about 1-AMino-3,3-difluoro-cycl... 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-(isopropoxycarbonyl)cyclobutanecarboxylic acid → 1-amino-3,3-difluorocyclobutane-1-carboxylic acid (1225532-86-4)

Guidance literature:

3,3-difluoro-1-(isopropoxycarbonyl)cyclobutanecarboxylic acid; With thionyl chloride; In dichloromethane; for 3h; Reflux;

With sodium azide; In water; acetone; at 0 ℃; for 2h;

Reference yield:

3,3-dimethoxycyclobutane-1,1-dicarboxylic acid diisopropyl ester (115118-68-8) → 1-amino-3,3-difluorocyclobutane-1-carboxylic acid (1225532-86-4)

Guidance literature:

Multi-step reaction with 4 steps

1.1: hydrogenchloride / water / 20 °C

2.1: morpholinosulfur trifluoride / dichloromethane / 72 h / 0 - 20 °C

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

4.1: thionyl chloride / dichloromethane / 3 h / Reflux

4.2: 2 h / 0 °C

With hydrogenchloride; thionyl chloride; water; morpholinosulfur trifluoride; sodium hydroxide; In methanol; dichloromethane; water;

Reference yield:

dipropan-2-yl 3-oxocyclobutane-1,1-dicarboxylate (893724-10-2) → 1-amino-3,3-difluorocyclobutane-1-carboxylic acid (1225532-86-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: morpholinosulfur trifluoride / dichloromethane / 72 h / 0 - 20 °C

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

3.1: thionyl chloride / dichloromethane / 3 h / Reflux

3.2: 2 h / 0 °C

With thionyl chloride; water; morpholinosulfur trifluoride; 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

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

Downstream raw materials:

1-((tert-butoxycarbonyl)amino)-3,3-difluorocyclobutane-1-carboxylic acid

(1-amino-3,3-difluorocyclobutyl)methanol

Refernces