Gal[236Bn]beta(1-4)Glc[236Bn]-beta-MP

Base Information

• Chemical Name: Gal[236Bn]beta(1-4)Glc[236Bn]-beta-MP
• CAS No.: 150412-81-0
• Molecular Formula: C61H64O12
• Molecular Weight: 989.172
• DSSTox Substance ID: DTXSID60462165
• Nikkaji Number: J1.535.418F
• Wikidata: Q82286663
• Mol file: 150412-81-0.mol

Synonyms:150412-81-0;Gal[236Bn]beta(1-4)Glc[236Bn]-beta-MP;beta-D-Glucopyranoside, 4-methoxyphenyl 2,3,6-tris-O-(phenylmethyl)-4-O-[2,3,6-tris-O-(phenylmethyl)-beta-D-galactopyranosyl]-;(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-ol;Gal[236Bn]|A(1-4)Glc[236Bn]-|A-MP;4-Methoxyphenyl 4-O-(2,3,6-Tri-O-benzyl-beta-D-galactopyranosyl)-2,3,6-tri-O-benzyl-beta-D-glucopyra;DTXSID60462165;MFCD11112175;HY-W145559;BS-43891;CS-0214549;T71809;J-008702;(2R,3S,4S,5R,6S)-4,5-BIS(BENZYLOXY)-2-[(BENZYLOXY)METHYL]-6-{[(2R,3R,4S,5R,6S)-4,5-BIS(BENZYLOXY)-2-[(BENZYLOXY)METHYL]-6-(4-METHOXYPHENOXY)OXAN-3-YL]OXY}OXAN-3-OL;beta-D-Glucopyranoside,4-methoxyphenyl2,3,6-tris-O-(phenylmethyl)-4-O-[2,3,6-tris-O-(phenylmethyl)-beta-D-galactopyranosyl]-

Chemical Property of Gal[236Bn]beta(1-4)Glc[236Bn]-beta-MP

Chemical Property:

• PKA: 12.90±0.70(Predicted)
• PSA: 121.76000
• Density: 1.271g/cm³
• LogP: 10.04510
• XLogP3: 9.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 25
• Exact Mass: 988.43977747
• Heavy Atom Count: 73
• Complexity: 1450

Purity/Quality:

97% ^*data from raw suppliers

Gal[236Bn]β(1-4)Glc[236Bn]-β-MP >92.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)OC2C(C(C(C(O2)COCC3=CC=CC=C3)OC4C(C(C(C(O4)COCC5=CC=CC=C5)O)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9
• Isomeric SMILES: COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCC5=CC=CC=C5)O)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

Technology Process of Gal[236Bn]beta(1-4)Glc[236Bn]-beta-MP

There total 4 articles about Gal[236Bn]beta(1-4)Glc[236Bn]-beta-MP 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: 64.0%

C61H62O12 → para-methoxyphenyl 2,3,6-tri-O-benzyl-β-D-galactopyranosyl-(1→4)-2,3,6-tri-O-benzyl-β-D-glucopyranoside (150412-81-0)

Guidance literature:

C₆₁H₆₂O₁₂; With triethylsilane; In dichloromethane; at -78 ℃; for 0.5h; Molecular sieve;

With trifluorormethanesulfonic acid; In dichloromethane; for 2.5h;

DOI:10.1039/c9ob01368g

Reference yield:

4-methoxy-phenol (150-76-5) → para-methoxyphenyl 2,3,6-tri-O-benzyl-β-D-galactopyranosyl-(1→4)-2,3,6-tri-O-benzyl-β-D-glucopyranoside (150412-81-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Me₃SiOTf / 1,2-dichloro-ethane

With trimethylsilyl trifluoromethanesulfonate; In 1,2-dichloro-ethane;

DOI:10.1016/S0040-4039(00)60374-X

Reference yield:

1',2',3',6',2,3,4,6-octa-O-acetyl-β-D-lactose (3616-19-1,5328-50-7,5346-90-7,6291-42-5,6920-00-9,20764-63-0,20880-60-8,20880-65-3,22352-19-8,23973-20-8,32447-69-1,34213-32-6,52554-32-2,53956-64-2,56907-29-0,56994-12-8,56994-13-9,57128-38-8,67650-36-6,68036-17-9,68036-19-1,78215-50-6,78215-51-7,79549-48-7,80446-82-8,85249-04-3,93221-83-1,93779-27-2,111407-83-1,111407-84-2,111407-85-3,120328-65-6,123809-59-6,132341-46-9,132341-47-0,132341-49-2,145307-94-4) → para-methoxyphenyl 2,3,6-tri-O-benzyl-β-D-galactopyranosyl-(1→4)-2,3,6-tri-O-benzyl-β-D-glucopyranoside (150412-81-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Me₃SiOTf / 1,2-dichloro-ethane

With trimethylsilyl trifluoromethanesulfonate; In 1,2-dichloro-ethane;

DOI:10.1016/S0040-4039(00)60374-X

upstream raw materials:

benzyl bromide

4-methoxyphenyl 2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranoside

4-methoxy-phenol

1',2',3',6',2,3,4,6-octa-O-acetyl-β-D-lactose

Downstream raw materials:

4-Oxo-pentanoic acid (2R,3S,4S,5R,6S)-4,5-bis-benzyloxy-2-benzyloxymethyl-6-((2R,3R,4S,5R)-4,5-bis-benzyloxy-2-benzyloxymethyl-6-fluoro-tetrahydro-pyran-3-yloxy)-tetrahydro-pyran-3-yl ester