(2S)-2-[[(4Ar,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid

Base Information

• Chemical Name: (2S)-2-[[(4Ar,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid
• CAS No.: 730911-70-3
• Molecular Formula: C25H29NO8
• Molecular Weight: 471.49966
• DSSTox Substance ID: DTXSID70370621
• Mol file: 730911-70-3.mol

Synonyms:730911-70-3;(2S)-2-[[(4Ar,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid;Benzyl N-acetyl-4,6-O-benzylidene-alpha-isomuramic acid;FT-0662662;Benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-a-D-muramic acid;DTXSID70370621;W-200574;Benzyl N-Acetyl-4,6-O-benzylidene-?-D-muramic Acid

Chemical Property of (2S)-2-[[(4Ar,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid

Chemical Property:

• PSA: 116.04000
• LogP: 3.24560
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 471.18931688
• Heavy Atom Count: 34
• Complexity: 678

Purity/Quality:

97% ^*data from raw suppliers

Benzyl N-acetyl-4,6-O-benzylidene-a-isomuramic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)OC1C(C(OC2C1OC(OC2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)C
• Isomeric SMILES: C[C@@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)C

Technology Process of (2S)-2-[[(4Ar,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid

There total 1 articles about (2S)-2-[[(4Ar,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid 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: 98.0%

Benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-3-O-<(R)-1-(methoxycarbonyl)ethyl>-α-D-glucopyranoside (104371-51-9) → Benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-3-O-<(S)-1-carboxyethyl>-α-D-glucopyranoside (730911-70-3)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; at 40 ℃; for 1h;

DOI:10.1002/jlac.198619860104

Reference yield:

(R)-2-((S)-2-Amino-propionylamino)-4-carbamoyl-butyric acid ethyl ester + Benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-3-O-<(S)-1-carboxyethyl>-α-D-glucopyranoside (730911-70-3) → 1-α-O-benzyl-4,6-O-benzylidene-N-acetylmuramyl-L-alanyl-D-glutamine ethyl ester (79787-38-5)

Guidance literature:

With 4-methyl-morpholine; isobutyl chloroformate; In N,N-dimethyl-formamide; at -15 ℃; Yield given;

DOI:10.1021/jm00343a018

Reference yield:

(R)-2-((S)-2-Amino-propionylamino)-4-carbamoyl-butyric acid butyl ester (74817-59-7) + Benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-3-O-<(S)-1-carboxyethyl>-α-D-glucopyranoside (730911-70-3) → 1-α-O-benzyl-4,6-O-benzylidene-N-acetylmuramyl-L-alanyl-D-glutamine n-butyl ester (74817-60-0,79814-70-3)

Guidance literature:

With 4-methyl-morpholine; isobutyl chloroformate; In N,N-dimethyl-formamide; at -15 ℃; Yield given;

DOI:10.1021/jm00343a018

upstream raw materials:

Benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-3-O-<(R)-1-(methoxycarbonyl)ethyl>-α-D-glucopyranoside

Downstream raw materials:

(S)-2-((4aR,6S,7R,8R,8aS)-7-Acetylamino-6-benzyloxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yloxy)-propionic acid 3,5-dioxo-4-aza-tricyclo[5.2.1.0^2,6]dec-8-en-4-yl ester

1-α-O-benzyl-4,6-O-benzylidene-N-acetylmuramyl-L-alanyl-D-glutamine ethyl ester

1-α-O-benzyl-4,6-O-benzylidene-N-acetylmuramyl-L-alanyl-D-glutamine n-butyl ester

1-α-O-benzyl-4,6-O-benzylidene-N-acetylmuramyl-L-alanyl-D-glutamine n-pentyl ester

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