4-[1-Hydroxy-2-[(1-methyl-2-phenoxyethyl)amino]propyl]phenyl pivalate

Base Information

• Chemical Name: 4-[1-Hydroxy-2-[(1-methyl-2-phenoxyethyl)amino]propyl]phenyl pivalate
• CAS No.: 67160-74-1
• Molecular Formula: C23H31NO4
• Molecular Weight: 385.503
• European Community (EC) Number: 266-590-9
• DSSTox Substance ID: DTXSID90986187
• Nikkaji Number: J310.204A
• Mol file: 67160-74-1.mol

Synonyms:67160-74-1;Isoxsuprine-monoester-1;LR693;EINECS 266-590-9;BRN 2769574;[4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenyl] 2,2-dimethylpropanoate;4-(1-Hydroxy-2-((1-phenoxypropan-2-yl)amino)propyl)phenyl pivalate;4-[1-HYDROXY-2-[(1-METHYL-2-PHENOXYETHYL)AMINO]PROPYL]PHENYL PIVALATE;4-(1-Hydroxy-2-((1-methyl-2-phenoxyethyl)amino)propyl)phenyl (2,2-dimethyl)propanoate;Benzyl alcohol, p-hydroxy-alpha-(1-((1-methyl-2-phenoxyethyl)amino)ethyl)-, pivalate;p-Hydroxy-alpha-(1-((1-methyl-2-phenoxyethyl)amino)ethyl)benzyl alcohol pivalate;4-(1-Hydroxy-2-((1-methyl-2-phenoxyethyl)amino)propyl)phenyl pivalate;SCHEMBL11580091;DTXSID90986187;CS-7272;LS-43044;HY-101759;4-{1-HYDROXY-2-[(1-PHENOXYPROPAN-2-YL)AMINO]PROPYL}PHENYL 2,2-DIMETHYLPROPANOATE;2,2-Dimethylpropanoic acid 4-[1-hydroxy-2-[(1-methyl-2-phenoxyethyl)amino]propyl]phenyl ester

Chemical Property of 4-[1-Hydroxy-2-[(1-methyl-2-phenoxyethyl)amino]propyl]phenyl pivalate

Chemical Property:

• Vapor Pressure: 1.03E-11mmHg at 25°C
• Boiling Point: 521.8°Cat760mmHg
• Flash Point: 269.4°C
• PSA: 67.79000
• Density: 1.096g/cm³
• LogP: 4.50800
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 385.22530847
• Heavy Atom Count: 28
• Complexity: 462

Purity/Quality:

99% ^*data from raw suppliers

Isoxsuprine-monoester-1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)OC(=O)C(C)(C)C)O

Technology Process of 4-[1-Hydroxy-2-[(1-methyl-2-phenoxyethyl)amino]propyl]phenyl pivalate

There total 2 articles about 4-[1-Hydroxy-2-[(1-methyl-2-phenoxyethyl)amino]propyl]phenyl pivalate 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: 40.0%

isoxsuprine (395-28-8,395-29-9) + pivaloyl chloride (3282-30-2) → 4-(1-hydroxy-2-<(1-methyl-2-phenoxyethyl)amino>propyl)phenyl (2,2-dimethyl)propanoate (67160-74-1)

Guidance literature:

With triethylamine; In benzene; for 2h; Heating;

Reference yield:

→ 4-(1-hydroxy-2-<(1-methyl-2-phenoxyethyl)amino>propyl)phenyl (2,2-dimethyl)propanoate (67160-74-1)

Guidance literature:

entspr. Phenol, Pivaloylchlorid;

upstream raw materials:

isoxsuprine

pivaloyl chloride