N-t-BOC-trans-4-Fluoro-L-Prolinonitrile

Base Information

• Chemical Name: N-t-BOC-trans-4-Fluoro-L-Prolinonitrile
• CAS No.: 1330286-47-9
• Molecular Formula: C₁₀H₁₅FN₂O₂
• Molecular Weight: 214.24
• Hs Code.: 2933998090
• European Community (EC) Number: 813-734-9
• Mol file: 1330286-47-9.mol

Synonyms:N-t-BOC-trans-4-Fluoro-L-Prolinonitrile;MFCD09263600;(2R,4R)-1-Boc-2-cyano-4-fluoropyrrolidine;(2R,4S)-1-Boc-2-cyano-4-fluoropyrrolidine;SCHEMBL3398160;BCP09644;MFCD28898276;MFCD28898277;SB45235;SB47129;N-t-BOC-cis-4-Fluoro-L-Prolinonitrile;SY008207;SY283943;SY283945;EN300-1726033;tert-butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate;1-Pyrrolidinecarboxylic acid, 2-cyano-4-fluoro-, 1,1-dimethylethyl ester, (2R,4S)-;1547085-19-7

Chemical Property of N-t-BOC-trans-4-Fluoro-L-Prolinonitrile

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.11175589
• Heavy Atom Count: 15
• Complexity: 302

Purity/Quality:

≥99% ^*data from raw suppliers

Boc-trans-4-fluoro-L-prolinonitrile ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC(CC1C#N)F

Technology Process of N-t-BOC-trans-4-Fluoro-L-Prolinonitrile

There total 1 articles about N-t-BOC-trans-4-Fluoro-L-Prolinonitrile 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: 70.0%

tert-butyl (2S,4R)-2-carbamoyl-4-fluoropyrrolidine-1-carboxylate (426844-26-0) → tert-butyl (2S,4R)-2-cyano-4-fluoropyrrolidine-1-carboxylate (1330286-47-9)

Guidance literature:

With pyridine; trifluoroacetic anhydride; In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1021/jm500031w

Reference yield:

tert-butyl (2S,4R)-2-cyano-4-fluoropyrrolidine-1-carboxylate (1330286-47-9) + 3-chloro-2-fluorobenzoic acid hydrazide → tert-butyl (4R)-2-(5-(3-chloro-2-fluorophenyl)-4H-1,2,4-triazol-3-yl)-4-fluoropyrrolidine-1-carboxylate

Guidance literature:

With potassium carbonate; In butan-1-ol; at 110 ℃; for 6h;

Reference yield:

tert-butyl (2S,4R)-2-cyano-4-fluoropyrrolidine-1-carboxylate (1330286-47-9) + toluene-4-sulfonic acid (104-15-4) → (2S,4R)-4-fluoropyrrolidine-2-carbonitrile 4-methylbenzenesulfonic acid (1584652-41-4)

Guidance literature:

In acetonitrile; at 0 - 20 ℃; for 24.5h;

DOI:10.1021/jm500031w

upstream raw materials:

tert-butyl (2S,4R)-2-carbamoyl-4-fluoropyrrolidine-1-carboxylate

Downstream raw materials:

(2S,4R)-4-fluoropyrrolidine-2-carbonitrile 4-methylbenzenesulfonic acid