Tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylate
• CAS No.: 177276-49-2
• Molecular Formula: C14H26N2O4
• Molecular Weight: 286.36700
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60572213
• Wikidata: Q82460497
• Mol file: 177276-49-2.mol

Synonyms:177276-49-2;tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylate;tert-Butyl 4-((2-ethoxy-2-oxoethyl)amino)piperidine-1-carboxylate;TERT-BUTYL 4-[(2-ETHOXY-2-OXOETHYL)AMINO]-TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE;tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]tetrahydro-1(2H)-pyridinecarboxylate;KC-0732;SCHEMBL697240;DTXSID60572213;BWSVCIPDXWEGMQ-UHFFFAOYSA-N;MFCD11046697;AKOS005073151;CS-0336778;J-524569;tert-Butyl 4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1 carboxylate;tert-Butyl4-((2-ethoxy-2-oxoethyl)amino)piperidine-1-carboxylate;4-(ethoxycarbonylmethyl-amino)-piperidine-1-carboxylic acid tert-butyl ester

Chemical Property of Tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylate

Chemical Property:

• Boiling Point: 375.4±37.0 °C(Predicted)
• PKA: 7.31±0.20(Predicted)
• PSA: 67.87000
• Density: 1.09±0.1 g/cm3(Predicted)
• LogP: 1.86740
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 286.18925731
• Heavy Atom Count: 20
• Complexity: 331

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl 4-[(2-ethoxy-2-oxoethyl)amino]-tetrahydro-1(2H)-pyridinecarboxylate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CNC1CCN(CC1)C(=O)OC(C)(C)C

Technology Process of Tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylate

There total 3 articles about Tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]piperidine-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: 77.0%

glycine ethyl ester hydrochloride (623-33-6) + N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → 4-(ethoxycarbonylmethylamino)piperidine-1-carboxylic acid tert-butyl ester (177276-49-2)

Guidance literature:

With methanol; sodium cyanoborohydride; at 20 ℃; for 18h; Inert atmosphere;

Reference yield: 69.0%

N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) + GlyOEt*HCl (459-73-4) → 4-(ethoxycarbonylmethylamino)piperidine-1-carboxylic acid tert-butyl ester (177276-49-2)

Guidance literature:

With sodium cyanoborohydride; In methanol; at 20 ℃;

Reference yield:

1-(tert-butoxycarbonyl)-4-aminopiperidine (87120-72-7) + ethyl bromoacetate (105-36-2) → 4-(ethoxycarbonylmethylamino)piperidine-1-carboxylic acid tert-butyl ester (177276-49-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 17h;

upstream raw materials:

glycine ethyl ester hydrochloride

N-tert-butyloxycarbonylpiperidin-4-one

GlyOEt*HCl

1-(tert-butoxycarbonyl)-4-aminopiperidine