N~1~,N~3~-Dicyclohexyl-2-hydroxy-N~1~,N~3~-di(propan-2-yl)propanediamide

Base Information

• Chemical Name: N~1~,N~3~-Dicyclohexyl-2-hydroxy-N~1~,N~3~-di(propan-2-yl)propanediamide
• CAS No.: 111635-29-1
• Molecular Formula: C21H38N2O3
• Molecular Weight: 366.544
• DSSTox Substance ID: DTXSID00563443
• Wikidata: Q82447884
• Mol file: 111635-29-1.mol

Synonyms:111635-29-1;DTXSID00563443;N~1~,N~3~-Dicyclohexyl-2-hydroxy-N~1~,N~3~-di(propan-2-yl)propanediamide

Chemical Property of N~1~,N~3~-Dicyclohexyl-2-hydroxy-N~1~,N~3~-di(propan-2-yl)propanediamide

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 366.28824308
• Heavy Atom Count: 26
• Complexity: 424

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(C1CCCCC1)C(=O)C(C(=O)N(C2CCCCC2)C(C)C)O

Technology Process of N~1~,N~3~-Dicyclohexyl-2-hydroxy-N~1~,N~3~-di(propan-2-yl)propanediamide

There total 2 articles about N~1~,N~3~-Dicyclohexyl-2-hydroxy-N~1~,N~3~-di(propan-2-yl)propanediamide 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: 30.0%

carbon monoxide (201230-82-2) + lithium cyclohexylisopropylamide (32400-20-7) → N,N'-dicyclohexyl-N,N'-diisopropylhydroxymalonamide (111635-29-1) + N-cyclohexyl-N-isopropylformamide (132278-98-9) + N-Cyclohexyl-N-isopropyl-2-oxo-acetamide

Guidance literature:

With water; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; at 0 ℃; under 759.8 Torr;

DOI:10.1021/jo00059a042

Reference yield:

carbon monoxide (201230-82-2) + lithium cyclohexylisopropylamide (32400-20-7) → N,N'-dicyclohexyl-N,N'-diisopropylhydroxymalonamide (111635-29-1) + N-Cyclohexyl-2-[(cyclohexyl-isopropyl-carbamoyl)-hydroxy-methoxy]-2-hydroxy-N-isopropyl-acetamide (111689-12-4) + N-cyclohexyl-N-isopropylformamide (132278-98-9)

Guidance literature:

In Petroleum ether; at 0 ℃; under 900 Torr;

DOI:10.1021/jo00237a033

Reference yield: 60.0%

N,N'-dicyclohexyl-N,N'-diisopropylhydroxymalonamide (111635-29-1) → N,N'-Dicyclohexyl-N,N'-diisopropyl-2-oxo-malonamide (132279-03-9)

Guidance literature:

With selenium(IV) oxide; In dichloromethane; for 6h; Heating;

DOI:10.1055/s-1990-27053

upstream raw materials:

carbon monoxide

lithium cyclohexylisopropylamide

Downstream raw materials:

N,N'-Dicyclohexyl-N,N'-diisopropyl-2-oxo-malonamide

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