1-tert-Butyloxycarbonyl-3-(N-hydroxycarbamimidoyl)-piperidine

Base Information

• Chemical Name: 1-tert-Butyloxycarbonyl-3-(N-hydroxycarbamimidoyl)-piperidine
• CAS No.: 479080-28-9
• Molecular Formula: C₁₁H₂₁N₃O₃
• Molecular Weight: 243.306
• Hs Code.: 2933399090
• European Community (EC) Number: 692-225-1
• DSSTox Substance ID: DTXSID20694081
• Mol file: 479080-28-9.mol

Synonyms:479080-28-9;1-tert-Butyloxycarbonyl-3-(N-hydroxycarbamimidoyl)-piperidine;DTXSID20694081;KCVBHZWEPHUWBW-UHFFFAOYSA-N;AKOS017337644;SB44142;FT-0658098;tert-Butyl 3-[amino(hydroxyimino)methyl]piperidine-1-carboxylate;3-(N-Hydroxycarbamimidoyl)-piperidine-1-carboxylic Acid tert-butyl Ester;tert-butyl (3RS)-3-[amino (hydroxyimino)methyl]-1-piperidine-carboxylate

Chemical Property of 1-tert-Butyloxycarbonyl-3-(N-hydroxycarbamimidoyl)-piperidine

Chemical Property:

• PSA: 88.15000
• Density: 1.23
• LogP: 2.01810
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 243.15829154
• Heavy Atom Count: 17
• Complexity: 310

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl 3-(N-hydroxycarbamimidoyl)piperidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C(=NO)N

Technology Process of 1-tert-Butyloxycarbonyl-3-(N-hydroxycarbamimidoyl)-piperidine

There total 7 articles about 1-tert-Butyloxycarbonyl-3-(N-hydroxycarbamimidoyl)-piperidine 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: 100.0%

(+/-)-2-N-tert-butoxycabonylpiperidine-3-carbonitrile (91419-53-3) → tert-butyl 3-(N-hydroxycarbamimidoyl)piperidine-1-carboxylate (479080-28-9)

Guidance literature:

With hydroxylamine; In ethanol; water; for 2h; Reflux;

Reference yield: 100.0%

(+/-)-2-N-tert-butoxycabonylpiperidine-3-carbonitrile (91419-53-3) → 3-(N-hydroxycarbamimidoyl)-piperidine-1-carboxylic acid tert-butyl ester (479080-28-9)

Guidance literature:

With hydroxylamine; In ethanol; water; for 2h; Heating / reflux;

Reference yield:

(+/-)-2-N-tert-butoxycabonylpiperidine-3-carbonitrile (91419-53-3) → tert-butyl 3-[amino(hydroxyimino)methyl]piperidine-1-carboxylate (479080-28-9)

Guidance literature:

With hydroxylamine; In methanol; at 60 ℃;

DOI:10.1021/jm070027u

upstream raw materials:

(+/-)-2-N-tert-butoxycabonylpiperidine-3-carbonitrile

tert-butyl 3-carbamoylpiperidine-1-carboxylate

N-(tert-butyloxycarbonyl)nipecotic acid

Downstream raw materials:

tert-butyl 3-(4-{[(4-fluorobenzyl)amino]carbonyl}-5,6-dihydroxypyrimidin-2-yl)piperidine-1-carboxylate