Beta-D-gal-[1->4]-beta-D-glcnac-1->o-cete

Base Information

• Chemical Name: Beta-D-gal-[1->4]-beta-D-glcnac-1->o-cete
• CAS No.: 87019-31-6
• Molecular Formula: C₂₀H₃₅NO₁₃S
• Molecular Weight: 529.563
• Hs Code.: 29389090
• DSSTox Substance ID: DTXSID70407769
• Mol file: 87019-31-6.mol

Synonyms:Beta-D-gal-[1->4]-beta-D-glcnac-1->o-cete;AC1NNL9N;DTXSID70407769

Chemical Property of Beta-D-gal-[1->4]-beta-D-glcnac-1->o-cete

Chemical Property:

• Vapor Pressure: 4.02E-33mmHg at 25°C
• Boiling Point: 844.1°C at 760 mmHg
• Flash Point: 464.3°C
• PSA: 239.00000
• Density: 1.49g/cm³
• LogP: -3.54190
• Storage Temp.: −20°C
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 13
• Exact Mass: 529.18291134
• Heavy Atom Count: 35
• Complexity: 673

Purity/Quality:

99% ^*data from raw suppliers

Carbomethoxyethylthioethyl 2-acetamido-2-deoxy-4-O- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(C(C(OC1OCCSCCC(=O)OC)CO)OC2C(C(C(C(O2)CO)O)O)O)O

Technology Process of Beta-D-gal-[1->4]-beta-D-glcnac-1->o-cete

There total 2 articles about Beta-D-gal-[1->4]-beta-D-glcnac-1->o-cete 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: 39.0%

acetic anhydride (108-24-7) + 2-(2-methoxycarbonylethylthio)ethyl 3,6-di-O-acetyl-2-deoxy-2-phtalimido-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranoside (87019-19-0) → 2-(2-methoxycarbonylethylthio)ethyl 2-acetamido-2-deoxy-4-O-β-D-galactpoyranosyl-β-D-glucopyranoside (87019-31-6) + 2-<2-(2-acetylhydrazin)carbonylethylthio>ethyl 2-acetamido-2-deoxy-4-O-β-D-galactopyranosyl-β-D-glucopyranoside (87019-32-7)

Guidance literature:

With sodium methylate; hydrazine hydrate; Yield given. Multistep reaction; 1.) methanol, overnight; 2.) ethanol, 3.5 h, reflux; 3.) ethanol-water, 3 h, r.t.;

DOI:10.1016/0008-6215(83)88059-8

Reference yield:

2-bromoethyl 3,6-di-O-acetyl-2-deoxy-2-phthalimido-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranoside (86651-39-0) → 2-(2-methoxycarbonylethylthio)ethyl 2-acetamido-2-deoxy-4-O-β-D-galactpoyranosyl-β-D-glucopyranoside (87019-31-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / cesium carbonate / dimethylformamide / 2 h / Ambient temperature

2: 39 percent / 1.) sodium methoxyde; 2.) hydrazine hydrate; / 1.) methanol, overnight; 2.) ethanol, 3.5 h, reflux; 3.) ethanol-water, 3 h, r.t.

With sodium methylate; caesium carbonate; hydrazine hydrate; In N,N-dimethyl-formamide;

DOI:10.1016/0008-6215(83)88059-8

upstream raw materials:

acetic anhydride

2-(2-methoxycarbonylethylthio)ethyl 3,6-di-O-acetyl-2-deoxy-2-phtalimido-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranoside

2-bromoethyl 3,6-di-O-acetyl-2-deoxy-2-phthalimido-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranoside

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