7-(3-Bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester

Base Information

Chemical Name:7-(3-Bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester
CAS No.:151106-12-6
Molecular Formula:C₂₇H₂₈BrF₂NO₄
Molecular Weight:548.424
Hs Code.:
DSSTox Substance ID:DTXSID401009851
Wikidata:Q76386763
Mol file:151106-12-6.mol

Synonyms:7-(3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester;7-BBFP-MPDH methyl ester

Suppliers and Price of 7-(3-Bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester

Supply Marketing:

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

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Chemical Property of 7-(3-Bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester

Chemical Property:

Vapor Pressure:2.41E-14mmHg at 25°C
Boiling Point:581.1°Cat760mmHg
Flash Point:305.2°C
PSA：71.69000
Density:1.35g/cm³
LogP:6.13190
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:547.11698
Heavy Atom Count:35
Complexity:695

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=C(C(=C(N1C=CC(CC(CC(=O)OC)O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)Br
Isomeric SMILES:CC(C)C1=C(C(=C(N1/C=C/[C@@H](C[C@@H](CC(=O)OC)O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)Br

Technology Process of 7-(3-Bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid methyl ester

There total 6 articles about 7-(3-Bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl)-3,5-dihydroxy-6-heptenoic acid 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:

: (E)-3-[3-Bromo-4,5-bis-(4-fluoro-phenyl)-2-isopropyl-pyrrol-1-yl]-prop-2-en-1-ol

: 151106-12-6
(+/-)-erythro-(E)-7-<3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl>-3,5-dihydroxy-6-heptenoic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: MnO₂ / CH₂Cl₂ / 1 h / 20 °C

2: 1.) NaH, n-BuLi / 1.) THF, hexane, 0 deg C, 15 min, 2.) THF, hexane, from 2 deg C to 20 deg C, 45 min

3: 1.) Et₃B, 2.) NaBH₄ / 1.) MeOH, THF, -73 deg C, 1.3 h, 2.) MeOH, THF, -73 deg C, 5 h

With manganese(IV) oxide; sodium tetrahydroborate; n-butyllithium; triethyl borane; sodium hydride; In dichloromethane;
DOI:10.1021/jm00075a021

Reference yield:

: 3-<3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl>-2-propenoic acid methyl ester

: 151106-12-6
(+/-)-erythro-(E)-7-<3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl>-3,5-dihydroxy-6-heptenoic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: DIBAL-H / toluene / -65 - -5 °C

2: MnO₂ / CH₂Cl₂ / 1 h / 20 °C

3: 1.) NaH, n-BuLi / 1.) THF, hexane, 0 deg C, 15 min, 2.) THF, hexane, from 2 deg C to 20 deg C, 45 min

4: 1.) Et₃B, 2.) NaBH₄ / 1.) MeOH, THF, -73 deg C, 1.3 h, 2.) MeOH, THF, -73 deg C, 5 h

With manganese(IV) oxide; sodium tetrahydroborate; n-butyllithium; triethyl borane; sodium hydride; diisobutylaluminium hydride; In dichloromethane; toluene;
DOI:10.1021/jm00075a021

Reference yield:

: <2,3-bis(4-fluorophenyl)-5-(1-methylethyl)-1H-pyrrol-1-yl>-2-propenoic acid methyl ester

: 151106-12-6
(+/-)-erythro-(E)-7-<3-bromo-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl>-3,5-dihydroxy-6-heptenoic acid methyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 76 percent / N-bromosuccinimide / dimethylformamide / 4.25 h / 20 °C

2: DIBAL-H / toluene / -65 - -5 °C

3: MnO₂ / CH₂Cl₂ / 1 h / 20 °C

4: 1.) NaH, n-BuLi / 1.) THF, hexane, 0 deg C, 15 min, 2.) THF, hexane, from 2 deg C to 20 deg C, 45 min

5: 1.) Et₃B, 2.) NaBH₄ / 1.) MeOH, THF, -73 deg C, 1.3 h, 2.) MeOH, THF, -73 deg C, 5 h

With manganese(IV) oxide; sodium tetrahydroborate; N-Bromosuccinimide; n-butyllithium; triethyl borane; sodium hydride; diisobutylaluminium hydride; In dichloromethane; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm00075a021