Tert-butyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate
• CAS No.: 907544-17-6
• Molecular Formula: C₁₀H₁₉FN₂O₂
• Molecular Weight: 218.271
• European Community (EC) Number: 824-643-9
• DSSTox Substance ID: DTXSID401164106
• Wikidata: Q76416886
• Mol file: 907544-17-6.mol

Synonyms:907544-17-6;TERT-BUTYL (3R,4S)-4-AMINO-3-FLUOROPIPERIDINE-1-CARBOXYLATE;577691-56-6;CIS-4-AMINO-1-BOC-3-FLUOROPIPERIDINE;(3R,4S)-4-Amino-3-fluoropiperidine-1-carboxylic Acid tert-Butyl Ester;(3R,4S)-4-Amino-1-Boc-3-fluoropiperidine;(3R,4S)-tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylate;tert-butyl (3R,4S)-4-amino-3-fluoro-piperidine-1-carboxylate;cis-1,1-dimethylethyl 4-amino-3-fluoro-1-piperidinecarboxylate;cis-tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;1-Boc-(3R,4S)-4-amino-3-fluoropiperidine;MFCD12912368;MFCD12912699;(3R,4S)-tert-butyl4-amino-3-fluoropiperidine-1-carboxylate;SCHEMBL1356253;ZQRYPCAUVKVMLZ-SFYZADRCSA-N;DTXSID401164106;AMY35459;AKOS022184816;AS-33785;A8225;CS-0048557;(3R,4S)-1-Boc-4-Amino-3-Fluoropiperidine;P16310;cis-(3R,4S)-1-Boc-4-amino-3-fluoropiperidine;cis-4-amino-1-tert-butoxycarbonyl-3-fluoropiperidine;(cis)-tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;(cis)-tert-butyl-4-amino-3-fluoropiperidine-1-carboxylate;t-Butyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate;cis(+/-)tert-butyl-4-amino-3-fluoropiperidine-1-carboxylate;tert-butyl cis(+/-)-4-amino-3-fluoropiperidine-1-carboxylate;tert-butyl(3R,4S)-4-amino-3-fluoro-piperidine-1-carboxylate;(+/-)-(cis)-tert-butyl-4-amino-3-fluoropiperidine-1-carboxylate;1,1-Dimethylethyl (3R,4S)-4-amino-3-fluoro-1-piperidinecarboxylate

Chemical Property of Tert-butyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 218.14305602
• Heavy Atom Count: 15
• Complexity: 240

Purity/Quality:

99%, ^*data from raw suppliers

(3R,4S)-4-Amino-3-fluoropiperidine-1-carboxylicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(C(C1)F)N
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C1)F)N

Technology Process of Tert-butyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate

There total 6 articles about Tert-butyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate 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: 99.0%

tert-butyl-(3R,4S)-4-(benzylamino)-3-fluoro-piperidine-1-carboxylate (907572-28-5,211108-52-0,211108-53-1) → tert-butyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate (907544-17-6,577691-56-6)

Guidance literature:

tert-butyl-(3R,4S)-4-(benzylamino)-3-fluoro-piperidine-1-carboxylate; With ammonium formate; In ethanol; water; at 20 ℃; for 0.0833333h; Inert atmosphere;

With palladium 10% on activated carbon; In ethanol; water; for 1h; Inert atmosphere; Reflux;

DOI:10.1016/j.bmc.2015.05.034

Reference yield:

tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylate (211108-50-8) → tert-butyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate (907544-17-6,577691-56-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium tris(acetoxy)borohydride / 2.5 h / 20 °C / Inert atmosphere; Cooling with ice

2.1: CHIRALPAK AD-H / ethanol; hexane; diethylamine / Resolution of racemate

3.1: ammonium formate / ethanol; water / 0.08 h / 20 °C / Inert atmosphere

3.2: 1 h / Inert atmosphere; Reflux

With ammonium formate; sodium tris(acetoxy)borohydride; In ethanol; hexane; water; diethylamine;

DOI:10.1016/j.bmc.2015.05.034

Reference yield:

(±)-cis-4-benzylamino-3-fluoropiperidine-1-carboxylic acid tert-butyl ester (211108-52-0,211108-53-1) → tert-butyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate (907544-17-6,577691-56-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Resolution of racemate

2: palladium on activated charcoal; hydrogen / methanol

With palladium on activated charcoal; hydrogen; In methanol;

DOI:10.1016/j.bmcl.2011.10.010

upstream raw materials:

tert-butyl-(3R,4S)-4-(benzylamino)-3-fluoro-piperidine-1-carboxylate

(±)-cis-4-benzylamino-3-fluoropiperidine-1-carboxylic acid tert-butyl ester

tert-butyl-3-fluoro-4-oxopiperidine-1-carboxylate

N-tert-butyloxycarbonylpiperidin-4-one

Downstream raw materials:

tert-butyl-(3R,4S)-4-({[(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl}amino)-3-fluoropiperidine-1-carboxylate

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