methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-oxoheptanoate

Base Information

Chemical Name:methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-oxoheptanoate
CAS No.:110862-47-0
Molecular Formula:C₃₄H₃₅FN₂O₅
Molecular Weight:570.661
Hs Code.:
DSSTox Substance ID:DTXSID201105540

Synonyms:methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-oxoheptanoate;1429437-86-4;methyl 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-5-hydroxy-3-oxoheptanoate;SCHEMBL13885721;DTXSID201105540;110862-47-0;Methyl 2-(4-fluorophenyl)-delta-hydroxy-5-(1-methylethyl)-beta-oxo-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoate

Suppliers and Price of methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-oxoheptanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-oxoheptanoate

Chemical Property:

XLogP3:5.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:570.25300038
Heavy Atom Count:42
Complexity:879

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)C1=C(C(=C(N1CCC(CC(=O)CC(=O)OC)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Technology Process of methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-oxoheptanoate

There total 8 articles about methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-oxoheptanoate 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:

hexane-washed sodium hydride: hexane-washed sodium hydride

: 110862-46-9
5-(4-fluorophenyl)-2-(1-methylethyl)-1-(3-oxopropyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide

: 105-45-3
acetoacetic acid methyl ester

: 110862-47-0
methyl 7-<2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-<(phenylamino)carbonyl>-1H-pyrrol-1-yl>-5-hydroxy-3-oxo-1-heptanoate

Guidance literature:: With hydrogenchloride; n-butyllithium; In tetrahydrofuran;

Reference yield:

hexane-washed sodium hydride: hexane-washed sodium hydride

: 5-(4-fluorophenyl)-2-(1-methylethyl)-1-(3-oxopropyl)- N

: 110862-46-9
5-(4-fluorophenyl)-2-(1-methylethyl)-1-(3-oxopropyl)-N,4-diphenyl-1H-pyrrole-3-carboxamide

: 105-45-3
acetoacetic acid methyl ester

: 110862-47-0
methyl 7-<2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-<(phenylamino)carbonyl>-1H-pyrrol-1-yl>-5-hydroxy-3-oxo-1-heptanoate

Guidance literature:: With hydrogenchloride; n-butyllithium; In tetrahydrofuran;

Reference yield:

: ethyl α-bromo-4-fluorobenzeneacetate

: 110862-47-0
methyl 7-<2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-<(phenylamino)carbonyl>-1H-pyrrol-1-yl>-5-hydroxy-3-oxo-1-heptanoate

Guidance literature:: Multi-step reaction with 6 steps

1: 82.5 percent / triethylamine / acetonitrile / Ambient temperature

2: triethylamine / CH₂Cl₂ / 1 h / 0 °C

3: NaOH / methanol; H₂O / 2 h / Heating

4: 43 percent / acetic anhydride / 4 h / 90 °C

5: 1.) concd. HCl, 2.) p-TSA, H₂O / 1.) ethanol, reflux, 24 h, 2.) acetone, reflux, 2 d

6: 1.) sodium hydride, n-butyllithium / 1.) THF, hexane, 0 deg C, 30 min, 2.)a) -78 deg C, 30 min, b) 0 deg C, 1 h

With hydrogenchloride; sodium hydroxide; n-butyllithium; water; acetic anhydride; sodium hydride; toluene-4-sulfonic acid; triethylamine; In methanol; dichloromethane; water; acetonitrile;
DOI:10.1021/jm00105a056