Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate

Base Information

• Chemical Name: Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate
• CAS No.: 154477-55-1
• Molecular Formula: C33H39NO4
• Molecular Weight: 513.677
• UNII: 86584LWW7F
• Nikkaji Number: J587.073I
• Mol file: 154477-55-1.mol

Synonyms:154477-55-1;methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate;2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid methyl ester;methyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate;Methyl-4-4(4-hydroxy diphenyl-methyl)-piperidine-1-oxobutyl-2-2-dimethyl phenyl;methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylphenylacetate;methyl 2-(4-{4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butanoyl}phenyl)-2-methylpropanoate;4-[4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid methyl ester;4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid methyl ester;Methyl ketofexofenadine;SCHEMBL2265221;1-Oxo Fexofenadine Methyl Ester;C33H39NO4;PGQMZSGBFIPEKX-UHFFFAOYSA-N;86584LWW7F;BCP29183;MFCD08063765;AKOS015891244;AC-8098;DS-3688;CS-0154635;FT-0653807;D94841;J-009107;methyl2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate;4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxo-butyl]-alpha,alpha-dimethylbenzeneacetic acid methyl ester;4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl] -alpha,alpha-dimethylbenzeneacetic acid methyl ester;4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha, alpha-dimethylbenzeneacetic acid methyl ester;4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid, methyl ester;4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid, methyl ester;Benzeneacetic acid, 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethyl-, methyl ester;meth yl 4-[4-[4-(hydroxydiphenylmethy)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylphenylacetate;methyl 2-(4-(4-(4-(hydroxydiphenylmethyl) piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate;methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methyl-propanoate;methyl 4-[4-[-4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylphenylacetate;methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-pip eridinyl]-1-oxobutyl]-alpha,alpha-dimethylphenylacetate;methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha, alpha-dimethylphenylacetate;Methyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetate;Methyl-4-4(4-hydroxy diphenyl-methyl)-piperidine-1-oxobutyl-2-2-dimethyl phenyl 2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid meth

Chemical Property of Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.573
• Boiling Point: 657.185 °C at 760 mmHg
• PKA: 13.32±0.29(Predicted)
• Flash Point: 351.253 °C
• PSA: 66.84000
• Density: 1.132 g/cm³
• LogP: 5.68610
• Storage Temp.: 2-8°C
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 513.28790873
• Heavy Atom Count: 38
• Complexity: 733

Purity/Quality:

99%min ^*data from raw suppliers

1-OxoFexofenadineMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC

Technology Process of Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate

There total 29 articles about Methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate 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: 85.0%

C18H21NO (115-46-8) + 2-[4-(4-Chloro-butyryl)-phenyl]-2-methyl-propionic acid, methyl ester (154477-54-0) → methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate (154477-55-1)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; at 80 ℃; for 36h; Solvent; Reagent/catalyst;

Reference yield: 62.0%

1-(4-bromophenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one (43076-33-1) + 1-methoxy-2-methyl-1-trimethylsiloxy-1-propene (31469-15-5) → methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate (154477-55-1)

Guidance literature:

With zinc(II) fluoride; tri-tert-butyl phosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 80 ℃; for 2h;

Reference yield: 61.0%

jones reagent + fexofenadine methyl ester (154825-96-4) → methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate (154477-55-1)

Guidance literature:

With magnesium sulfate; In acetone;

upstream raw materials:

4-<4-<4-(Hydroxydiphenylmethyl)-1-piperidinyl>-1-butynyl>-α,α-dimethylbenzeneacetic acid methyl ester

4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]-2-[4-(1-methoxycarbonyl-1-methylethyl)benzoyl]butyric acid ethyl ester

methyl 2-(4-bromophenyl)-2,2-dimethylacetate

4-(4-Hydroxy-1-butynyl)-α,α-dimethylbenzeneacetic acid methyl ester

Downstream raw materials:

4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylbenzeneacetic acid

fexofenadine

fexofenadine methyl ester

Refernces

• 1、 -. "Synthetic method of fexofenadine intermediate". Paragraph 0010; 0051; 0052; 0053; 0054; 0055. . Retrieved 2017/02/28.
• 2、 Perlmutter, Jessamyn I.,Forbes, Lauren T.,Krysan, Damian J.,Ebsworth-Mojica, Katherine,Colquhoun, Jennifer M.,Wang, Jenna L.,Dunman, Paul M.,Flaherty, Daniel P.. "Repurposing the antihistamine terfenadine for antimicrobial activity against staphylococcus aureus". . p. 8540 - 8562. Retrieved 2014/12/11.