4-Methylumbelliferyl beta-D-cellobioside

Base Information

• Chemical Name: 4-Methylumbelliferyl beta-D-cellobioside
• CAS No.: 72626-61-0
• Molecular Formula: C22H28 O13
• Molecular Weight: 500.457
• Hs Code.: 29400090
• European Community (EC) Number: 276-744-7
• DSSTox Substance ID: DTXSID401294953
• Nikkaji Number: J227.534A
• Mol file: 72626-61-0.mol

Synonyms:4-methylumbelliferylcellobioside;MUF-beta-D-cellobioside

Chemical Property of 4-Methylumbelliferyl beta-D-cellobioside

Chemical Property:

• Appearance/Colour: WHITE POWDER
• Vapor Pressure: 3.21E-29mmHg at 25°C
• Melting Point: 230 °C
• Boiling Point: 830.3 °C at 760 mmHg
• PKA: 12.61±0.70(Predicted)
• Flash Point: 286 °C
• PSA: 208.74000
• Density: 1.65 g/cm³
• LogP: -2.89570
• Storage Temp.: 2-8°C
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 500.15299094
• Heavy Atom Count: 35
• Complexity: 776

Purity/Quality:

98%, ^*data from raw suppliers

4-Methylumbelliferyl b-D-cellobioside ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
• Uses: 4-Methylumbelliferyl β-D-cellobioside is an enzyme ligand. 4-Methylumbelliferyl β-D-cellobioside is used as a substrate to measure (1,4)-β-Glucanase activity in sediments. 4-Methylumbelliferyl β-D-cellobioside has been used as a substrate: to assay cellulase from?A. nigerto determine the extracellular enzyme activity for 1,4-β-cellobiohydrolaseto assay the activity of bound enzyme, endoglucanase I (EGIc) Trichoderma reesei?class II hydrophobins (HFBI)

Technology Process of 4-Methylumbelliferyl beta-D-cellobioside

There total 7 articles about 4-Methylumbelliferyl beta-D-cellobioside 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:

2-nitrophenyl β-D-glucopyranoside (2816-24-2) + 4-methylumbelliferyl β-D-glucopyranoside (18997-57-4,39940-54-0) → 4-methylumbellifer-7-yl-β-D-cellobioside (72626-61-0,66068-40-4) + 4-methylumbelliferyl 3-O-β-D-glucopyranosyl-β-D-glucopyranoside (172364-08-8)

Guidance literature:

With Thermosphaera aggregans glycosynthase (Ta-β-GlyE386G); In various solvents; at 65 ℃; for 9h; pH=4.02;

DOI:10.1016/j.bmcl.2003.08.037

Reference yield:

uridine 5'-diphospho-D-galactose (2956-16-3) + N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-hydroxymethyl-2-(4-methyl-2-oxo-2H-chromen-7-yloxy)-tetrahydro-pyran-3-yl]-acetamide (37067-30-4) + 4-methylumbelliferyl β-D-glucopyranoside (18997-57-4,39940-54-0) → 4-methylumbellifer-7-yl-β-D-cellobioside (72626-61-0,66068-40-4) + 4-methylumbelliferyl β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranoside (73448-32-5)

Guidance literature:

With Neisseria meningitidis β1-4-galactosyltransferase encoded by lgtB gene; manganese(ll) chloride; at 37 ℃; for 1h; pH=7; aq. buffer; Enzymatic reaction;

DOI:10.1039/c0cc01381a

Reference yield:

7-(hepta-O-acetyl-β-cellobiosyloxy)-4-methyl-coumarin (122147-95-9) → 4-methylumbellifer-7-yl-β-D-cellobioside (72626-61-0,66068-40-4)

Guidance literature:

With methanol; sodium methylate;

upstream raw materials:

7-(hepta-O-acetyl-β-cellobiosyloxy)-4-methyl-coumarin

2-nitrophenyl β-D-glucopyranoside

4-methylumbelliferyl β-D-glucopyranoside

7-hydroxy-4-methyl-chromen-2-one

Downstream raw materials:

7-(hepta-O-acetyl-β-cellobiosyloxy)-4-methyl-coumarin