3-Fluoro-1,3-azetidinedic...

Base Information

• Chemical Name: 3-Fluoro-1,3-azetidinedic...
• CAS No.: 1126650-67-6
• Molecular Formula: C9H14FNO4
• Molecular Weight: 219.213
• Hs Code.: 2933998090
• Mol file: 1126650-67-6.mol

Synonyms:1-(TERT-BUTOXYCARBONYL)-3-FLUOROAZETIDINE-3-CARBOXYLIC ACID; 3-Fluoro-1,3-azetidinedicarboxylic acid tert-butyl ester; 1-Boc-3-fluoroazetidine-3-carboxylic acid

Chemical Property of 3-Fluoro-1,3-azetidinedic...

Chemical Property:

• Melting Point: 86 °C
• Boiling Point: 313.0±42.0 °C(Predicted)
• PKA: 2.04±0.20(Predicted)
• PSA: 66.84000
• Density: 1.29±0.1 g/cm3(Predicted)
• LogP: 0.96790
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

1-(tert-Butoxycarbonyl)-3-fluoroazetidine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Fluoro-1,3-azetidinedic...

There total 5 articles about 3-Fluoro-1,3-azetidinedic... 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: 47.0%

3-fluoro-3-hydroxymethylazetidine-1-carboxylic acid tert-butyl ester (1126650-66-5) → 3-fluoro-3-(hydroxymethyl)azetidin-1-carboxylic acid tert-butyl ester (1126650-67-6)

Guidance literature:

With sodium periodate; ruthenium(III) chloride trihydrate; In water; acetonitrile; at 20 ℃; for 16h;

DOI:10.1021/jo802791r

Reference yield:

1-tert-butyl 3-methyl 3-fluoroazetidine-1,3-dicarboxylate (1363382-00-6) → 3-fluoro-3-(hydroxymethyl)azetidin-1-carboxylic acid tert-butyl ester (1126650-67-6)

Guidance literature:

With water; lithium hydroxide; In methanol; at 20 ℃; for 24h;

Reference yield:

1-(t-butyloxycarbonyl)-azetidine-3-carboxylic acid (142253-55-2) → 3-fluoro-3-(hydroxymethyl)azetidin-1-carboxylic acid tert-butyl ester (1126650-67-6)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 24 h / 20 °C

2: N-fluorobis(benzenesulfon)imide; lithium hexamethyldisilazane / tetrahydrofuran / 4.5 h / -78 °C

3: lithium hydroxide; water / methanol / 24 h / 20 °C

With water; potassium carbonate; N-fluorobis(benzenesulfon)imide; lithium hydroxide; lithium hexamethyldisilazane; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;

upstream raw materials:

3-fluoro-3-hydroxymethylazetidine-1-carboxylic acid tert-butyl ester

1-(t-butyloxycarbonyl)-azetidine-3-carboxylic acid

azetidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester

1-tert-butyl 3-methyl 3-fluoroazetidine-1,3-dicarboxylate

Downstream raw materials:

3-fluoroazetidine-3-carboxylic acid

3-fluoro-3-hydroxymethylazetidine-1-carboxylic acid tert-butyl ester