Phenylmethyl 2-(acetylamino)-2-deoxy-3-O-[6-deoxy-2,3,4-tris-O-(phenylmethyl)-alpha-L-galactopyranosyl]-6-O-(phenylmethyl)-alpha-D-glucopyranoside

Base Information

• Chemical Name: Phenylmethyl 2-(acetylamino)-2-deoxy-3-O-[6-deoxy-2,3,4-tris-O-(phenylmethyl)-alpha-L-galactopyranosyl]-6-O-(phenylmethyl)-alpha-D-glucopyranoside
• CAS No.: 196941-74-9
• Molecular Formula: C₄₉H₅₅NO₁₀
• Molecular Weight: 817.976
• DSSTox Substance ID: DTXSID701101381

Synonyms:DTXSID701101381;196941-74-9;Phenylmethyl 2-(acetylamino)-2-deoxy-3-O-[6-deoxy-2,3,4-tris-O-(phenylmethyl)-alpha-L-galactopyranosyl]-6-O-(phenylmethyl)-alpha-D-glucopyranoside

Chemical Property of Phenylmethyl 2-(acetylamino)-2-deoxy-3-O-[6-deoxy-2,3,4-tris-O-(phenylmethyl)-alpha-L-galactopyranosyl]-6-O-(phenylmethyl)-alpha-D-glucopyranoside

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 19
• Exact Mass: 817.38259695
• Heavy Atom Count: 60
• Complexity: 1200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2O)COCC3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)C)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
• Isomeric SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)COCC3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)C)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

Technology Process of Phenylmethyl 2-(acetylamino)-2-deoxy-3-O-[6-deoxy-2,3,4-tris-O-(phenylmethyl)-alpha-L-galactopyranosyl]-6-O-(phenylmethyl)-alpha-D-glucopyranoside

There total 3 articles about Phenylmethyl 2-(acetylamino)-2-deoxy-3-O-[6-deoxy-2,3,4-tris-O-(phenylmethyl)-alpha-L-galactopyranosyl]-6-O-(phenylmethyl)-alpha-D-glucopyranoside 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:

N-[(4aR,6S,7R,8R,8aS)-6-Benzyloxy-2-phenyl-8-((2S,3S,4R,5R,6S)-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexahydro-pyrano[3,2-d][1,3]dioxin-7-yl]-acetamide (196941-73-8) → N-[(2S,3R,4R,5S,6R)-2-Benzyloxy-6-benzyloxymethyl-5-hydroxy-4-((2S,3S,4R,5R,6S)-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl]-acetamide (196941-74-9)

Guidance literature:

With hydrogenchloride; methyl orange; sodium cyanoborohydride; In tetrahydrofuran; at 25 - 40 ℃; for 4h; Yield given;

DOI:10.1080/07328309708005732

Reference yield:

(2S,3R,4R,5S,6R)-3,4,5-Tris-benzyloxy-2-methyl-6-methylsulfanyl-tetrahydro-pyran (107802-80-2) → N-[(2S,3R,4R,5S,6R)-2-Benzyloxy-6-benzyloxymethyl-5-hydroxy-4-((2S,3S,4R,5R,6S)-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl]-acetamide (196941-74-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 4 Angstroem MS, 2.) DMTST / 1.) CH₂Cl₂, room temperature, 1.5 h, 2.) 0 deg C, 30 min

2: 1.) 4 Angstroem MS, Congo Red, 2.) NaBH₃CN, HCl / 1.) THF, room temperature, 1 h, 2.) Et₂O, 0 deg C

With hydrogenchloride; 4 Angstroem MS; sodium cyanoborohydride; dimethyl-(methylthio)-sulphonium trifluoromethanesulphonate; Brasilamina Congo 4B;

DOI:10.1271/bbb.62.590

Reference yield:

benzyl 4,6-O-benzylidene-2-acetylamino-2-deoxy-α-D-glucopyranoside (13343-63-0) → N-[(2S,3R,4R,5S,6R)-2-Benzyloxy-6-benzyloxymethyl-5-hydroxy-4-((2S,3S,4R,5R,6S)-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl]-acetamide (196941-74-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 4 Angstroem MS, 2.) DMTST / 1.) CH₂Cl₂, room temperature, 1.5 h, 2.) 0 deg C, 30 min

2: 1.) 4 Angstroem MS, Congo Red, 2.) NaBH₃CN, HCl / 1.) THF, room temperature, 1 h, 2.) Et₂O, 0 deg C

With hydrogenchloride; 4 Angstroem MS; sodium cyanoborohydride; dimethyl-(methylthio)-sulphonium trifluoromethanesulphonate; Brasilamina Congo 4B;

DOI:10.1271/bbb.62.590

upstream raw materials:

N-[(4aR,6S,7R,8R,8aS)-6-Benzyloxy-2-phenyl-8-((2S,3S,4R,5R,6S)-3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexahydro-pyrano[3,2-d][1,3]dioxin-7-yl]-acetamide

(2S,3R,4R,5S,6R)-3,4,5-Tris-benzyloxy-2-methyl-6-methylsulfanyl-tetrahydro-pyran

benzyl 4,6-O-benzylidene-2-acetylamino-2-deoxy-α-D-glucopyranoside

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