Ethyl (2R, 3S)-3-Boc-amino-2-piperidineacetate

Base Information

• Chemical Name: Ethyl (2R, 3S)-3-Boc-amino-2-piperidineacetate
• CAS No.: 150618-13-6
• Molecular Formula: C14H26 N2 O4
• Molecular Weight: 286.371
• DSSTox Substance ID: DTXSID80934011
• Wikidata: Q82909844
• Mol file: 150618-13-6.mol

Synonyms:150618-13-6;Ethyl (2R, 3S)-3-Boc-amino-2-piperidineacetate;ethyl 2-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetate;Ethyl2-((2R,3S)-3-((tert-butoxycarbonyl)amino)piperidin-2-yl)acetate;Ethyl 2-((2R,3S)-3-((tert-butoxycarbonyl)amino)piperidin-2-yl)acetate;DTXSID80934011;AKOS015897986;Ethyl-3-boc-amino-2-piperidineacetate;Ethyl (3-{[tert-butoxy(hydroxy)methylidene]amino}piperidin-2-yl)acetate;rel-Ethyl 2-((2R,3S)-3-((tert-butoxycarbonyl)amino)piperidin-2-yl)acetate;196500-38-6

Chemical Property of Ethyl (2R, 3S)-3-Boc-amino-2-piperidineacetate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.485
• Boiling Point: 390.99°C at 760 mmHg
• PKA: 12.12±0.40(Predicted)
• Flash Point: 190.264°C
• PSA: 76.66000
• Density: 1.084g/cm³
• LogP: 2.30460
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 286.18925731
• Heavy Atom Count: 20
• Complexity: 339

Purity/Quality:

97% ^*data from raw suppliers

ETHYL (2R, 3S)-3-BOC-AMINO-2-PIPERIDINEACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1C(CCCN1)NC(=O)OC(C)(C)C
• Isomeric SMILES: CCOC(=O)C[C@@H]1[C@H](CCCN1)NC(=O)OC(C)(C)C

Technology Process of Ethyl (2R, 3S)-3-Boc-amino-2-piperidineacetate

There total 1 articles about Ethyl (2R, 3S)-3-Boc-amino-2-piperidineacetate 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: 90.0%

ethyl (S)-7-(((benzyloxy)carbonyl)amino)-4-((tert-butoxycarbonyl)amino)-3-oxoheptanoate → ((2R,3S)-3-tert-Butoxycarbonylamino-piperidin-2-yl)-acetic acid ethyl ester (150618-13-6,1219132-56-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 40 ℃; for 6h; under 2068.6 Torr;

DOI:10.1016/S0040-4039(00)73644-6

Reference yield: 66.0%

benzyl bromide (100-39-0) + ((2R,3S)-3-tert-Butoxycarbonylamino-piperidin-2-yl)-acetic acid ethyl ester (150618-13-6,1219132-56-5) → ((2R,3S)-1-Benzyl-3-tert-butoxycarbonylamino-piperidin-2-yl)-acetic acid ethyl ester

Guidance literature:

With triethylamine; In acetonitrile;

DOI:10.1016/S0040-4039(00)73644-6

Reference yield: 53.0%

N-Cbz-Ala (1142-20-7) + ((2R,3S)-3-tert-Butoxycarbonylamino-piperidin-2-yl)-acetic acid ethyl ester (150618-13-6,1219132-56-5) → [(2R,3S)-1-((S)-2-Benzyloxycarbonylamino-propionyl)-3-tert-butoxycarbonylamino-piperidin-2-yl]-acetic acid ethyl ester

Guidance literature:

With benzotriazol-1-ol; dicyclohexyl-carbodiimide;

DOI:10.1016/S0040-4039(00)73644-6

Downstream raw materials:

(4aR,5S)-2-benzyl-5-(Boc-L-tryptophyl)amino-1,3-dioxoperhydropyrido[1,2-c]pyrimidine

IQM 95333

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