[2-(2,2-Dimethylpropanoyloxy)-4-[1-hydroxy-2-[[2-methyl-1-[(2-phenoxyacetyl)amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate

Base Information

• Chemical Name: [2-(2,2-Dimethylpropanoyloxy)-4-[1-hydroxy-2-[[2-methyl-1-[(2-phenoxyacetyl)amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate
• CAS No.: 67631-88-3
• Molecular Formula: C30H42N2O7
• Molecular Weight: 542.6637
• DSSTox Substance ID: DTXSID60987000

Synonyms:ICI 125,436;ICI 125436;ICI-125,436

Chemical Property of [2-(2,2-Dimethylpropanoyloxy)-4-[1-hydroxy-2-[[2-methyl-1-[(2-phenoxyacetyl)amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate

Chemical Property:

• Vapor Pressure: 1.03E-20mmHg at 25°C
• Boiling Point: 702.5°C at 760 mmHg
• Flash Point: 378.7°C
• Density: 1.137g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 15
• Exact Mass: 542.29920168
• Heavy Atom Count: 39
• Complexity: 809

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC(C)(C)CNC(=O)COC2=CC=CC=C2)O)OC(=O)C(C)(C)C

Technology Process of [2-(2,2-Dimethylpropanoyloxy)-4-[1-hydroxy-2-[[2-methyl-1-[(2-phenoxyacetyl)amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate

There total 2 articles about [2-(2,2-Dimethylpropanoyloxy)-4-[1-hydroxy-2-[[2-methyl-1-[(2-phenoxyacetyl)amino]propan-2-yl]amino]ethyl]phenyl] 2,2-dimethylpropanoate 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:

2,2-Dimethyl-propionic acid 5-{2-[1,1-dimethyl-2-(2-phenoxy-acetylamino)-ethylamino]-acetyl}-2-(2,2-dimethyl-propionyloxy)-phenyl ester → 2,2-Dimethyl-propionic acid 5-{2-[1,1-dimethyl-2-(2-phenoxy-acetylamino)-ethylamino]-1-hydroxy-ethyl}-2-(2,2-dimethyl-propionyloxy)-phenyl ester (67631-88-3)

Guidance literature:

Multistep reaction; (i) NaBH₄, MeOH, (ii) H₂, Pd-C, PhCH₂Br, EtOH;

Reference yield:

pivaloyl chloride (3282-30-2) + 2-[1,1-dimethyl-2-(2-phenoxyacetamido)ethylamino]-3',4'-bis(benzyloxy)acetophenone hydrobromide → 2,2-Dimethyl-propionic acid 5-{2-[1,1-dimethyl-2-(2-phenoxy-acetylamino)-ethylamino]-1-hydroxy-ethyl}-2-(2,2-dimethyl-propionyloxy)-phenyl ester (67631-88-3)

Guidance literature:

Multistep reaction;

upstream raw materials:

pivaloyl chloride

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