N-[(1s,2r)-2-Hydroxy-1-(Hydroxycarbamoyl)propyl]-4-(4-Phenylbuta-1,3-Diyn-1-Yl)benzamide

Base Information

• Chemical Name: N-[(1s,2r)-2-Hydroxy-1-(Hydroxycarbamoyl)propyl]-4-(4-Phenylbuta-1,3-Diyn-1-Yl)benzamide
• CAS No.: 728865-26-7
• Molecular Formula: C₂₁H₁₈N₂O₄
• Molecular Weight: 362.385
• DSSTox Substance ID: DTXSID001117989
• Nikkaji Number: J3.340.962A
• ChEMBL ID: CHEMBL1230182

Synonyms:N-[(1s,2r)-2-Hydroxy-1-(Hydroxycarbamoyl)propyl]-4-(4-Phenylbuta-1,3-Diyn-1-Yl)benzamide;3P3;SCHEMBL404258;CHEMBL1230182;BDBM92267;CS257;DTXSID001117989;Q27454002;4-(4-Phenylbutane-1,3-diyne-1-yl)-N-[(2S,3R)-1-oxo-1-(hydroxyamino)-3-hydroxybutane-2-yl]benzamide;728865-26-7;N-[(1S,2R)-2-Hydroxy-1-[(hydroxyamino)carbonyl]propyl]-4-(4-phenyl-1,3-butadiyn-1-yl)benzamide

Chemical Property of N-[(1s,2r)-2-Hydroxy-1-(Hydroxycarbamoyl)propyl]-4-(4-Phenylbuta-1,3-Diyn-1-Yl)benzamide

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 362.12665706
• Heavy Atom Count: 27
• Complexity: 649

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(C(=O)NO)NC(=O)C1=CC=C(C=C1)C#CC#CC2=CC=CC=C2)O
• Isomeric SMILES: C[C@H]([C@@H](C(=O)NO)NC(=O)C1=CC=C(C=C1)C#CC#CC2=CC=CC=C2)O

Technology Process of N-[(1s,2r)-2-Hydroxy-1-(Hydroxycarbamoyl)propyl]-4-(4-Phenylbuta-1,3-Diyn-1-Yl)benzamide

There total 2 articles about N-[(1s,2r)-2-Hydroxy-1-(Hydroxycarbamoyl)propyl]-4-(4-Phenylbuta-1,3-Diyn-1-Yl)benzamide 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:

C22H19NO4 → N-(1-(N-hydroxycarbamoyl)(1S,2R)-2-hydroxypropyl)[4-(4-phenylbuta-1,3-diynyl)phenyl]carboxamide (728865-26-7)

Guidance literature:

With hydroxylamine; Alkaline conditions;

DOI:10.1016/j.chembiol.2010.11.011

Reference yield:

→ N-(1-(N-hydroxycarbamoyl)(1S,2R)-2-hydroxypropyl)[4-(4-phenylbuta-1,3-diynyl)phenyl]carboxamide (728865-26-7)

Guidance literature:

With hydroxylamine hydrochloride; sodium methylate; In methanol; dichloromethane; at -10 ℃; pH=11 - 12;

With trifluoroacetic acid; In water; acetonitrile;

With hydrogenchloride; In water; acetonitrile;

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