3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside

Base Information

• Chemical Name: 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside
• CAS No.: 136345-76-1
• Molecular Formula: C₄₀H₅₈ClNO₂₉
• Molecular Weight: 1052.34
• Nikkaji Number: J511.003C
• Mol file: 136345-76-1.mol

Synonyms:2-chloro-4-nitrophenyl 4,6-O-3-ketobutylidene beta-maltopentaoside;3-ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside;3KB-CNP-beta-G5;3KB-CNPG5;3KB-G5CNP

Chemical Property of 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1278.8°Cat760mmHg
• Flash Point: 727.2°C
• PSA: 456.87000
• Density: 1.77g/cm³
• LogP: -7.38570
• XLogP3: -8.2
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 16
• Exact Mass: 1051.2783025
• Heavy Atom Count: 71
• Complexity: 1730

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1OCC2C(O1)C(C(C(O2)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7=C(C=C(C=C7)[N+](=O)[O-])Cl)CO)CO)CO)CO)O)O
• Isomeric SMILES: CC(=O)CC1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)OC7=C(C=C(C=C7)[N+](=O)[O-])Cl)CO)CO)CO)CO)O)O

Technology Process of 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside

There total 2 articles about 3-Ketobutylidene 2-chloro-4-nitrophenylmaltopentaoside 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: 30.0%

2-chloro-4-nitrophenyl β-maltoside (143206-27-3) + 4,6-O-3-ketobutylidene β-maltopentaoside → 2-chloro-4-nitrophenyl 4,6-O-3-ketobutylidene β-maltopentaoside (136345-76-1) + 2-chloro-4-nitrophenyl 4,6-O-3-ketobutylidene β-maltohexaoside

Guidance literature:

In propan-1-ol; water; at 37 ℃; for 10h; cyclodextrin glucotransferase, PIPES buffer pH 6.5, CaCl₂;

DOI:10.1271/bbb.56.1552

Reference yield:

4-methoxy-3-buten-2-one (4652-27-1) + 2-chloro-4-nitrophenyl-β-maltopentoside (99304-80-0) → 2-chloro-4-nitrophenyl 4,6-O-3-ketobutylidene β-maltopentaoside (136345-76-1)

Guidance literature:

With methanesulfonic acid; In N,N-dimethyl-formamide; at 25 ℃; for 72h;

DOI:10.1271/bbb.56.1136

upstream raw materials:

4-methoxy-3-buten-2-one

2-chloro-4-nitrophenyl-β-maltopentoside

2-chloro-4-nitrophenyl β-maltoside