Nomega-(2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl)-Nalpha-(tert-butoxycarbonyl)-L-asparagine Benzyl Ester

Base Information

• Chemical Name: Nomega-(2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl)-Nalpha-(tert-butoxycarbonyl)-L-asparagine Benzyl Ester
• CAS No.: 219968-28-2
• Molecular Formula: C₄₅H₅₃N₃O₁₀
• Molecular Weight: 795.93
• DSSTox Substance ID: DTXSID70572961
• Nikkaji Number: J1.136.719D
• Wikidata: Q82461503
• Mol file: 219968-28-2.mol

Synonyms:219968-28-2;Nomega-(2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl)-Nalpha-(tert-butoxycarbonyl)-L-asparagine Benzyl Ester;N-Omega-(2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-b-D-glucopyranosyl)-N-a-Boc-L-asparagine benzyl ester;benzyl (2S)-4-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate;DTXSID70572961;CRNGSGNVFXQOBD-VEEXYVTKSA-N;Nomega-(2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl)-Nalpha-Boc-L-asparagine Benzyl Ester;MFCD06797050;CS-0214569;D88467;W-201904;N-omega-(2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl)-N-alpha-Boc-L-asparagine Benzyl Ester;Nomega-(2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl)-Nalpha-(tert-butoxycarbonyl)-L-asparagineBenzylEster

Chemical Property of Nomega-(2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl)-Nalpha-(tert-butoxycarbonyl)-L-asparagine Benzyl Ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 214 °C(dec.)
• Refractive Index: 1.6
• Boiling Point: 951.381oC at 760 mmHg
• PKA: 10.67±0.46(Predicted)
• Flash Point: 529.176oC
• PSA: 159.75000
• Density: 1.249g/cm3
• LogP: 6.91930
• Storage Temp.: Freezer
• XLogP3: 5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 21
• Exact Mass: 795.37309490
• Heavy Atom Count: 58
• Complexity: 1250

Purity/Quality:

97% ^*data from raw suppliers

Nomega-(2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl)-Nalpha-(tert-butoxycarbonyl)-L-asparagine Benzyl Ester >97.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Technology Process of Nomega-(2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl)-Nalpha-(tert-butoxycarbonyl)-L-asparagine Benzyl Ester

There total 1 articles about Nomega-(2-Acetamido-3,4,6-tri-O-benzyl-2-deoxy-beta-D-glucopyranosyl)-Nalpha-(tert-butoxycarbonyl)-L-asparagine Benzyl Ester 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: 65.0%

2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester (30925-18-9) + azido 3,4,6-tri-O-benzyl-2-N-acetylamino-2-deoxy-β-D-glucopyranoside (214467-60-4) → (S)-N-((2R,3R,4R,5S,6R)-3-Acetylamino-4,5-bis-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-2-tert-butoxycarbonylamino-succinamic acid benzyl ester (219968-28-2)

Guidance literature:

With tributylphosphine; In dichloromethane; at -78 ℃;

DOI:10.1055/s-1999-3674

upstream raw materials:

2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester

azido 3,4,6-tri-O-benzyl-2-N-acetylamino-2-deoxy-β-D-glucopyranoside

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