(4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one

Base Information

Chemical Name:(4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one
CAS No.:123284-04-8
Molecular Formula:C₂₃H₂₀F₂N₄O₃
Molecular Weight:438.434
Hs Code.:
Wikidata:Q27075403
Pharos Ligand ID:U9Q7YCCUCSSD
ChEMBL ID:CHEMBL2367463
Mol file:123284-04-8.mol

Synonyms:BMY 22089;BMY 22089, (1:4R, 2:trans)-isomer;BMY 22089, (2:trans, 3:(+-))-isomer;BMY-22089

Suppliers and Price of (4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one

Supply Marketing:

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

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Chemical Property of (4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one

Chemical Property:

Vapor Pressure:1.43E-17mmHg at 25°C
Boiling Point:646°Cat760mmHg
Flash Point:344.5°C
PSA：90.13000
Density:1.37g/cm³
LogP:3.07010
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:438.15034684
Heavy Atom Count:32
Complexity:694

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NN=N1)C(=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C=CC4CC(CC(=O)O4)O
Isomeric SMILES:CN1C(=NN=N1)C(=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)/C=C/[C@H]4C[C@@H](CC(=O)O4)O

Technology Process of (4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one

There total 18 articles about (4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one 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)-(3S,5R)-3,5-Bis-(tert-butyl-diphenyl-silanyloxy)-9,9-bis-(4-fluoro-phenyl)-8-(1-methyl-1H-tetrazol-5-yl)-nona-6,8-dienoic acid ethyl ester

: 118845-52-6,128556-55-8
methyl (+/-)-erythro-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-6,8-nonadienoate

: 118845-49-1,118845-59-3,118918-05-1,123284-04-8,149116-11-0
trans-6-<4,4-bis(4-fluorophenyl)-3-(1-methyl-1H-tetrazol-5-yl)-1,3-butadienyl>tetrahydro-4-hydroxy-2H-pyran-2-one

Guidance literature:: With tetrabutyl ammonium fluoride; acetic acid; In tetrahydrofuran; for 18h;
DOI:10.1021/jm00173a013

Reference yield:

: 118874-96-7,118875-42-6,130273-25-5
ethyl (+/-)-erythro-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-6,8-nonadienoate

: 118845-49-1,118845-59-3,118918-05-1,123284-04-8,149116-11-0
trans-6-<4,4-bis(4-fluorophenyl)-3-(1-methyl-1H-tetrazol-5-yl)-1,3-butadienyl>tetrahydro-4-hydroxy-2H-pyran-2-one

Guidance literature:: With sodium hydroxide; N-cyclohexyl-N'-β-(4-methylmorpholinium)ethylcarbodiimide p-toluenesulfonate; Yield given. Multistep reaction; 1) EtOH, 2) CH₂Cl₂;
DOI:10.1021/jm00129a004

Reference yield:

: 118875-43-7,118918-03-9,118918-06-2,129785-03-1,129785-04-2,129829-03-4
(+/-)-erythro-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-6,8-nonadienoic acid

: 118845-49-1,118845-59-3,118918-05-1,123284-04-8,149116-11-0
trans-6-<4,4-bis(4-fluorophenyl)-3-(1-methyl-1H-tetrazol-5-yl)-1,3-butadienyl>tetrahydro-4-hydroxy-2H-pyran-2-one

Guidance literature:: With N-cyclohexyl-N'-β-(4-methylmorpholinium)ethylcarbodiimide p-toluenesulfonate; In dichloromethane; for 0.25h; Yield given; Ambient temperature;
DOI:10.1021/jm00173a013