Carbamic acid, [(3S,4S)-4-fluoro-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI)

Base Information

• Chemical Name: Carbamic acid, [(3S,4S)-4-fluoro-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI)
• CAS No.: 213388-72-8
• Molecular Formula: C₉H₁₇FN₂O₂
• Molecular Weight: 204.245
• Mol file: 213388-72-8.mol

Synonyms:Carbamicacid, [(3S,4S)-4-fluoro-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI);tert-Butyl ((3S,4S)-4-fluoropyrrolidin-3-yl)carbamate

Chemical Property of Carbamic acid, [(3S,4S)-4-fluoro-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI)

Chemical Property:

• Boiling Point: 295.3±40.0 °C(Predicted)
• PKA: 11.18±0.40(Predicted)
• PSA: 50.36000
• Density: 1.10±0.1 g/cm3(Predicted)
• LogP: 1.54070
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99%, ^*data from raw suppliers

tert-Butyl N-[(3R,4S)-4-fluoropyrrolidin-3-yl]carbamate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

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Technology Process of Carbamic acid, [(3S,4S)-4-fluoro-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI)

There total 8 articles about Carbamic acid, [(3S,4S)-4-fluoro-3-pyrrolidinyl]-, 1,1-dimethylethyl ester (9CI) 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: 88.0%

(3R,4R)-benzyl 3-((tert-butoxycarbonyl)amino)-4-fluoropyrrolidine-1-carboxylate → tert-butyl ((3R,4R)-4-fluoropyrrolidin-3-yl)carbamate (169750-42-9,213388-71-7,213388-72-8,1033718-89-6,1033718-91-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; water; for 3h;

Reference yield:

tert-butyl ((3S,4R)-4-fluoro-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl)carbamate → tert-butyl ((3S,4R)-4-fluoropyrrolidin-3-yl)carbamate (169750-42-9,213388-71-7,213388-72-8,1033718-89-6,1033718-91-0)

Guidance literature:

With potassium carbonate; In methanol; at 25 ℃; for 5h;

DOI:10.1055/s-0037-1611553

Reference yield:

(3R,4S)-3-tert-Butoxycarbonylamino-4-fluoro-pyrrolidine-1-carboxylic acid benzyl ester → ((3R,4S)-4-Fluoro-pyrrolidin-3-yl)-carbamic acid tert-butyl ester (213388-71-7,213388-72-8,1033718-89-6,1033718-91-0)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; Heating;

DOI:10.1016/S0960-894X(98)00355-2

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