1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-

Base Information

• Chemical Name: 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-
• CAS No.: 148693-71-4
• Molecular Formula: C24H28ClNO3S
• Molecular Weight: 446.01
• Mol file: 148693-71-4.mol

Synonyms:1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-

Chemical Property of 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-

Chemical Property:

• Boiling Point: 635.4±55.0 °C(Predicted)
• PKA: 4.70±0.10(Predicted)
• PSA: 87.76000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 6.59250
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

3-(3-(tert-Butylthio)-1-(4-chlorobenzyl)-5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-

There total 5 articles about 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl- 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-methylpropan-2-thiol (75-66-1) + 3-[1-(4-chlorobenzyl)-3-(t-butylthio)-5-methoxyindol-2-yl]-2,2-dimethylpropanoic acid methyl ester (136694-15-0) → 3-[1-(4-Chlorobenzyl)-3-(t-butylthio)-5-hydroxyindol-2-yl]-2,2-dimethylpropanoic acid (148693-71-4)

Guidance literature:

With hydrogenchloride; lithium hydride; In N,N,N,N,N,N-hexamethylphosphoric triamide; water; N,N-dimethyl-formamide;

Reference yield:

1-(4-chlorobenzyl)-1-(4-methoxyphenyl)hydrazine (62646-04-2) → 3-[1-(4-Chlorobenzyl)-3-(t-butylthio)-5-hydroxyindol-2-yl]-2,2-dimethylpropanoic acid (148693-71-4)

Guidance literature:

Multi-step reaction with 2 steps

1: AcOH / toluene / 96 h / Ambient temperature

2: AlCl₃ / CH₂Cl₂ / 3 h

With aluminium trichloride; acetic acid; In dichloromethane; toluene;

DOI:10.1016/S0960-894X(96)00271-5

Reference yield:

ethyl 5-t-butylthio-2,2-dimethyl-4-oxo-pentanoate (136558-13-9) → 3-[1-(4-Chlorobenzyl)-3-(t-butylthio)-5-hydroxyindol-2-yl]-2,2-dimethylpropanoic acid (148693-71-4)

Guidance literature:

Multi-step reaction with 2 steps

1: AcOH / toluene / 96 h / Ambient temperature

2: AlCl₃ / CH₂Cl₂ / 3 h

With aluminium trichloride; acetic acid; In dichloromethane; toluene;

DOI:10.1016/S0960-894X(96)00271-5

upstream raw materials:

2-methylpropan-2-thiol

3-[1-(4-Chlorobenzyl)-5-hydroxyindol-2-yl]-2,2-dimethylpropanoic acid

1-(4-chlorobenzyl)-1-(4-methoxyphenyl)hydrazine

ethyl 5-t-butylthio-2,2-dimethyl-4-oxo-pentanoate

Downstream raw materials:

3-[1-(4-chlorobenzyl)-5-(6-chloropyrid-2-ylmethoxy)-3-(1,1-dimethylethylthio)indol-2-yl]-2,2-dimethylpropionic acid

3-[1-(4-chlorobenzyl)-3-(1,1-dimethylethylthio)-5-(thiazol-4-ylmethoxy)indol-2-yl]-2,2-dimethylpropionic acid

3-[1-(4-chlorobenzyl)-3-(1,1-dimethylethylthio)-5-(pyrid-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropionic acid

Refernces

• 1、 -. "(Azaarylmethoxy)indoles as inhibitors of leukotriene biosynthesis". . . Retrieved 2008/06/13.
• 2、 -. "(hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis". . . Retrieved 2008/06/13.