Phenylpropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside

Base Information

• Chemical Name: Phenylpropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside
• CAS No.: 220341-05-9
• Molecular Formula: C23H31 N O9
• Molecular Weight: 465.49354
• DSSTox Substance ID: DTXSID70585910
• Wikidata: Q82477926
• Mol file: 220341-05-9.mol

Synonyms:220341-05-9;Phenylpropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside;[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-(3-phenylpropoxy)oxan-2-yl]methyl acetate;PHENYLPROPYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE;DTXSID70585910;AKOS025294929;W-201908;3-Phenylpropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside

Chemical Property of Phenylpropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside

Chemical Property:

• Boiling Point: 617.7±55.0 °C(Predicted)
• PKA: 13.60±0.70(Predicted)
• PSA: 126.46000
• Density: 1.23±0.1 g/cm3(Predicted)
• LogP: 1.68280
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 465.19988157
• Heavy Atom Count: 33
• Complexity: 677

Purity/Quality:

98%min ^*data from raw suppliers

Phenylpropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OCCCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C

Technology Process of Phenylpropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside

There total 2 articles about Phenylpropyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside 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: 83.0%

3-Phenyl-1-propanol (122-97-4) + 1-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyloxy)benzotriazole (1454311-01-3) → (3-phenylpropyl)-2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside (220341-05-9)

Guidance literature:

With cobalt(II) chloride; In dichloromethane; at 50 ℃; for 3h;

DOI:10.1134/S1068162013030084

Reference yield:

Acetic acid (2R,3S,4R,5R,6R)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-chloro-tetrahydro-pyran-4-yl ester (3068-34-6) → (3-phenylpropyl)-2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside (220341-05-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / 20 °C

2: cobalt(II) chloride / dichloromethane / 3 h / 50 °C

With potassium carbonate; cobalt(II) chloride; In dichloromethane; acetonitrile;

DOI:10.1134/S1068162013030084

upstream raw materials:

Acetic acid (2R,3S,4R,5R,6R)-3-acetoxy-2-acetoxymethyl-5-acetylamino-6-chloro-tetrahydro-pyran-4-yl ester

3-Phenyl-1-propanol

1-(2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyloxy)benzotriazole

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