1-Boc-3-fluoroazetidine-3...

Base Information

• Chemical Name: 1-Boc-3-fluoroazetidine-3...
• CAS No.: 1126650-66-5
• Molecular Formula: C9H16FNO3
• Molecular Weight: 205.229
• Hs Code.: 2933990090
• Mol file: 1126650-66-5.mol

Synonyms:1-Boc-3-fluoroazetidine-3...;1-Azetidinecarboxylic acid, 3-fluoro-3-(hydroxyMethyl)-, 1,1-diMethylethyl ester;1-Boc-3-fluoroazetidine-3-Methanol;tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate

Chemical Property of 1-Boc-3-fluoroazetidine-3...

Chemical Property:

• Boiling Point: 273.6±25.0 °C(Predicted)
• PKA: 14.82±0.10(Predicted)
• PSA: 49.77000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: 0.87560
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl3-Fluoro-3-(hydroxymethyl)azetidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-Boc-3-fluoroazetidine-3...

There total 2 articles about 1-Boc-3-fluoroazetidine-3... 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: 92.0%

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

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 20 ℃; for 4h;

Reference yield: 74.0%

1-Boc-3-fluoro-3-(4-methoxyphenoxymethyl)azetidine (1126650-64-3) → 3-fluoro-3-hydroxymethylazetidine-1-carboxylic acid tert-butyl ester (1126650-66-5)

Guidance literature:

With ammonium cerium (IV) nitrate; water; In acetonitrile; at -10 ℃;

DOI:10.1021/jo802791r

Reference yield: 48.0%

3-fluoro-3-hydroxymethylazetidine-1-carboxylic acid tert-butyl ester (1126650-66-5) + 1-bromo-4-(bromomethyl)-5-chloro-2-fluorobenzene (1355636-63-3) → 3-(((4-bromo-2-chloro-5-fluorobenzyl)oxy)methyl)-3-fluoroazetidine-1-carboxylic acid tert-butyl ester

Guidance literature:

3-fluoro-3-hydroxymethylazetidine-1-carboxylic acid tert-butyl ester; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.25h;

1-bromo-4-(bromomethyl)-5-chloro-2-fluorobenzene; In N,N-dimethyl-formamide; at 0 ℃; for 0.5h;

upstream raw materials:

1-Boc-3-fluoro-3-(4-methoxyphenoxymethyl)azetidine

3-fluoro-3-(hydroxymethyl)azetidin-1-carboxylic acid tert-butyl ester

Downstream raw materials:

3-fluoro-3-(hydroxymethyl)azetidin-1-carboxylic acid tert-butyl ester

C₉H₁₅F₂NO₂

C₁₀H₁₈FNO₅S

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