Phenyl 3,4,6-tri-O-acetyl-2-deoxy-1-thio-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}-alpha-L-allopyranoside

Base Information

• Chemical Name: Phenyl 3,4,6-tri-O-acetyl-2-deoxy-1-thio-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}-alpha-L-allopyranoside
• CAS No.: 278784-83-1
• Molecular Formula: C21H24 Cl3 N O9 S
• Molecular Weight: 572.848
• DSSTox Substance ID: DTXSID30693681
• Mol file: 278784-83-1.mol

Synonyms:DTXSID30693681;P1642;Phenyl 3,4,6-tri-O-acetyl-2-deoxy-1-thio-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}-alpha-L-allopyranoside

Chemical Property of Phenyl 3,4,6-tri-O-acetyl-2-deoxy-1-thio-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}-alpha-L-allopyranoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 115.0 to 119.0 °C
• Refractive Index: 1.572
• Boiling Point: 633.127°C at 760 mmHg
• PKA: 8.97±0.70(Predicted)
• Flash Point: 336.703°C
• PSA: 155.25000
• Density: 1.457g/cm³
• LogP: 3.59950
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 571.023736
• Heavy Atom Count: 35
• Complexity: 761

Purity/Quality:

98% ^*data from raw suppliers

Phenyl 3,4,6-Tri-O-acetyl-2-deoxy-1-thio-2-(2,2,2-trichloroethoxyformamido)-β-D-galactopyranoside >98.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC(=O)OC[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)SC2=CC=CC=C2)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C

Technology Process of Phenyl 3,4,6-tri-O-acetyl-2-deoxy-1-thio-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}-alpha-L-allopyranoside

There total 1 articles about Phenyl 3,4,6-tri-O-acetyl-2-deoxy-1-thio-2-{[(2,2,2-trichloroethoxy)carbonyl]amino}-alpha-L-allopyranoside 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: 74.0%

thiophenol (108-98-5) + 1,3,4,6-tetra-O-acetyl-2-deoxy-2-(2',2',2'-trichloroethoxycarbonylamino)-β-D-galactopyranoside (145416-95-1) → phenyl 3,4,6-tri-O-acetyl-2-deoxy-1-thio-2-(2',2',2'-trichloroethoxycarbonylamino)-β-D-galactopyranoside (278784-83-1)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/jo991812k

Reference yield: 100.0%

phenyl 3,4,6-tri-O-acetyl-2-deoxy-1-thio-2-(2',2',2'-trichloroethoxycarbonylamino)-β-D-galactopyranoside (278784-83-1) → phenyl 2-deoxy-1-thio-2-(2,2,2-trichloroethoxycarbonylamino)-β-D-galactopyranoside (868230-98-2)

Guidance literature:

phenyl 3,4,6-tri-O-acetyl-2-deoxy-1-thio-2-(2',2',2'-trichloroethoxycarbonylamino)-β-D-galactopyranoside; With sodium methylate; In methanol; at 20 ℃; for 3h;

In methanol;

DOI:10.1016/j.cclet.2017.06.010

Reference yield: 100.0%

C48H56Cl3NO20 (610763-72-9) + phenyl 3,4,6-tri-O-acetyl-2-deoxy-1-thio-2-(2',2',2'-trichloroethoxycarbonylamino)-β-D-galactopyranoside (278784-83-1) → C62H72Cl6N2O29

Guidance literature:

With N-iodo-succinimide; trifluorormethanesulfonic acid; In dichloromethane; acetonitrile; at 0 ℃; Inert atmosphere; Molecular sieve;

DOI:10.1016/S0076-6879(10)78025-3

upstream raw materials:

thiophenol

1,3,4,6-tetra-O-acetyl-2-deoxy-2-(2',2',2'-trichloroethoxycarbonylamino)-β-D-galactopyranoside

Downstream raw materials:

methyl (3,4,6-tri-O-acetyl-2-deoxy-2-(2',2',2'-trichloroethoxycarbonylamino)-β-D-galactopyranosyl)(1->4)-3,6-di-O-benzyl-2-deoxy-2-phthalimido-β-D-glucopyranoside

6-chlorohexyl (3,4,6-tri-O-acetyl-2-deoxy-2-(2',2',2'-trichloroethoxycarbonylamino)-β-D-galactopyranosyl)(1->4)-3,6-di-O-benzyl-2-deoxy-2-phthalimido-β-D-glucopyranoside

benzyl [3,4,6-tri-O-acetyl-2-deoxy-2-(2',2',2'-trichloroethoxycarbonyl-amino)-β-D-galactopyranosyl]-(1->4)-2,3-di-O-acetyl-6-O-benzyl-β-D-galactopyranoside

benzyloxycarbonylmethyl [3,4,6-tri-O-acetyl-2-deoxy-2-(2',2',2'-trichloroethoxycarbonyl-amino)-β-D-galactopyranosyl]-(1->4)-2,3-di-O-acetyl-6-O-benzyl-β-D-galactopyranoside

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