4-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-Methoxyphenyl)-1-piperazinyl]-3-[2-Methoxy-5-(trifluoroMethyl)phenyl]-, Methyl ester

Base Information

• Chemical Name: 4-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-Methoxyphenyl)-1-piperazinyl]-3-[2-Methoxy-5-(trifluoroMethyl)phenyl]-, Methyl ester
• CAS No.: 791117-40-3
• Molecular Formula: C30H30F4N4O4
• Molecular Weight: 586.586
• Mol file: 791117-40-3.mol

Synonyms:4-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-Methoxyphenyl)-1-piperazinyl]-3-[2-Methoxy-5-(trifluoroMethyl)phenyl]-, Methyl ester;Methyl 2-[8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,4-dihydroquinazolin-4-yl] acetate

Chemical Property of 4-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-Methoxyphenyl)-1-piperazinyl]-3-[2-Methoxy-5-(trifluoroMethyl)phenyl]-, Methyl ester

Chemical Property:

• Boiling Point: 662.2±65.0 °C(Predicted)
• PKA: 4.85±0.20(Predicted)
• PSA: 66.84000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 5.29930

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-(4-(3-methoxyphenyl)piperazin-1-yl)-3,4-dihydroquinazolin-4-yl)acetate 95%+ ^*data from reagent suppliers

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Technology Process of 4-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-Methoxyphenyl)-1-piperazinyl]-3-[2-Methoxy-5-(trifluoroMethyl)phenyl]-, Methyl ester

There total 15 articles about 4-Quinazolineacetic acid, 8-fluoro-3,4-dihydro-2-[4-(3-Methoxyphenyl)-1-piperazinyl]-3-[2-Methoxy-5-(trifluoroMethyl)phenyl]-, Methyl ester 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: 81.9%

methanol (67-56-1) + (+/-)-{8-fluoro-2-[4-(3-methoxyphenyl)-piperazin-1-yl]-3-[2-methoxy-5-trifluoromethyl-phenyl]-3,4-dihydro-quinazolin-4-yl}acetic acid (791116-51-3) → methyl 2-[8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,4-dihydroquinazolin-4-yl] acetate (791117-40-3)

Guidance literature:

With sulfuric acid; for 6h; Product distribution / selectivity; Heating / reflux;

Reference yield:

methyl 2-[2-chloro-8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-yl]acetate + 4-(3-methoxyphenyl)piperazine (16015-71-7) → methyl 2-[8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,4-dihydroquinazolin-4-yl] acetate (791117-40-3)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; Reflux;

Reference yield:

2-methoxy-5-trifluoromethylphenyl isocyanate (16588-75-3) → methyl 2-[8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3,4-dihydroquinazolin-4-yl] acetate (791117-40-3)

Guidance literature:

Multi-step reaction with 5 steps

1: acetonitrile / Reflux

2: acetic acid; palladium diacetate

3: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetone / Reflux

4: 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate / chlorobenzene / Reflux

5: 1,8-diazabicyclo[5.4.0]undec-7-ene / 1,4-dioxane / Reflux

With palladium diacetate; acetic acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; trichlorophosphate; In 1,4-dioxane; chlorobenzene; acetone; acetonitrile;

upstream raw materials:

4-(3-methoxyphenyl)piperazine

methanol

(+/-)-{8-fluoro-2-[4-(3-methoxyphenyl)-piperazin-1-yl]-3-[2-methoxy-5-trifluoromethyl-phenyl]-3,4-dihydro-quinazolin-4-yl}acetic acid

methyl 2-(8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)acetate

Downstream raw materials:

(R)-methyl 2-(8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-(4-(3-methoxyphenyl)piperazin-1-yl)-3,4-dihydroquinazolin-4-yl)acetate

(2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]succinic acid {(4S)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(2-methoxy-5-(trifluormethyl)phenyl)-3,4-dihydroquinazolin-4-yl}acetic acid methyl ester

(R)-2-(8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-(4-(3-methoxyphenyl)piperazin-1-yl)-3,4-dihydroquinazolin-4-yl)acetic acid

(S)-2-(8-fluoro-3-(2-methoxy-5-(trifluoromethyl)-phenyl)-2-(4-(3-methoxyphenyl)piperazin-1-yl)-3,4-dihydroquinazolin-4-yl)acetic acid

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