4-[[3-Acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid

Base Information

Chemical Name:4-[[3-Acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CAS No.:38877-35-9
Molecular Formula:C26H33N3O13
Molecular Weight:595.5525
Hs Code.:
NSC Number:173938
DSSTox Substance ID:DTXSID00306054

Synonyms:38877-35-9;NSC173938;DTXSID00306054;NSC-173938;2-Acetamido-3,4,6-tri-O-acetyl-N-{N-[(benzyloxy)carbonyl]-alpha-aspartyl}-2-deoxyhexopyranosylamine

Suppliers and Price of 4-[[3-Acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 2 raw suppliers

Chemical Property of 4-[[3-Acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid

Chemical Property:

Vapor Pressure:3.69E-31mmHg at 25°C
Boiling Point:855.4°C at 760 mmHg
Flash Point:471.1°C
Density:1.38g/cm³
XLogP3:-0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:16
Exact Mass:595.20133812
Heavy Atom Count:42
Complexity:1010

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)NC1C(C(C(OC1NC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C

Technology Process of 4-[[3-Acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid

There total 3 articles about 4-[[3-Acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic 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: 78.0%

: 129835-78-5
Z-Asnα-(Ac3GlcNAc)β-OBu^t

: 38877-35-9
Z-Asnα-(Ac3GlcNAc)β-OH

Guidance literature:: With trifluoroacetic acid; In dichloromethane; for 0.5h; Ambient temperature;
DOI:10.1021/jo00313a013

Reference yield:

: 4515-24-6
2-acetamido-2-deoxy-3,4,6-tri-O-acetyl-β-D-glucopyranosylamine

: 38877-35-9
Z-Asnα-(Ac3GlcNAc)β-OH

Guidance literature:: Multi-step reaction with 2 steps

1: 58 percent / 1-hydroxybenzotriazole, dicyclohexylcarbodiimide / tetrahydrofuran / 1) - 10 deg C, 30 min, 2) r.t., 15 h

2: 78 percent / TFA / CH₂Cl₂ / 0.5 h / Ambient temperature

With benzotriazol-1-ol; dicyclohexyl-carbodiimide; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jo00313a013

Reference yield:

: 6205-69-2
2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranosyl azide

: 38877-35-9
Z-Asnα-(Ac3GlcNAc)β-OH

Guidance literature:: Multi-step reaction with 3 steps

1: 75 percent / Ph₃P, NH₄OH

2: 58 percent / 1-hydroxybenzotriazole, dicyclohexylcarbodiimide / tetrahydrofuran / 1) - 10 deg C, 30 min, 2) r.t., 15 h

3: 78 percent / TFA / CH₂Cl₂ / 0.5 h / Ambient temperature

With ammonium hydroxide; benzotriazol-1-ol; dicyclohexyl-carbodiimide; triphenylphosphine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jo00313a013