(3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid

Base Information

Chemical Name:(3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid
CAS No.:129785-03-1
Molecular Formula:C₂₃H₂₂F₂N₄O₄
Molecular Weight:456.449
Hs Code.:
UNII:LY9HL83FI2,LU1PQR90RM
Nikkaji Number:J579.148K
ChEMBL ID:CHEMBL1204677

Synonyms:LU1PQR90RM;(+)-Bmy-21950 free acid;BMS-180431-09 free acid;UNII-LU1PQR90RM;129829-03-4;LY9HL83FI2;BMY180431;BMY 180431;BMY-21950 free acid, (+/-)-;(3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid;129785-03-1;6,8-Nonadienoic acid, 9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-, (3R,5S,6E)-;Sodium;(3S,5R,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoate;UNII-LY9HL83FI2;SCHEMBL637920;SCHEMBL637921;CHEMBL1204677;HPFIYXJJZZWEPC-MMKWGKFASA-N;BMS180431;BMS-180431;(+)-BMY-21950;BMY-21950 FREE ACID, (+)-;(+/-)-BMY-21950;(3r,5s,6e)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-1h-tetrazol-5-yl)-6,8-nonadienoic acid;6,8-NONADIENOIC ACID, 9,9-BIS(4-FLUOROPHENYL)-3,5-DIHYDROXY-8-(1-METHYL-1H-TETRAZOL-5-YL)-, (3R,5S,6E)-REL-;6,8-NONADIENOIC ACID, 9,9-BIS(4-FLUOROPHENYL)-3,5-DIHYDROXY-8-(1-METHYL-1H-TETRAZOL-5-YL)-, (R*,S*-(E))-;6,8-NONADIENOIC ACID, 9,9-BIS(4-FLUOROPHENYL)-3,5-DIHYDROXY-8-(1-METHYL-1H-TETRAZOL-5-YL)-, (R*,S*-(E))-(+/-)-

Suppliers and Price of (3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid

Supply Marketing:

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

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Chemical Property of (3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:456.16091152
Heavy Atom Count:33
Complexity:683

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

Technology Process of (3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid

There total 12 articles about (3R,5S,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoic acid 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:

: 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

: 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

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; at 0 ℃; for 2h;
DOI:10.1021/jm00173a013

Reference yield:

: 118845-89-9
cis-(4R,6S)-6-<4,4-bis(4-fluorophenyl)-3-(1-methyl-1H-tetrazol-5-yl)-1,3-butadienyl>-2,2-dimethyl-1,3-dioxane-4-acetic acid

: 129785-03-1
(E)-(3R,5S)-9,9-Bis-(4-fluoro-phenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-nona-6,8-dienoic acid

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; for 16h;
DOI:10.1021/jm00173a013

Reference yield:

: 123185-91-1
cis-(4R,6S)-2,2-dimethyl-6-formyl-1,3-dioxane-4-acetic acid

: 129785-03-1
(E)-(3R,5S)-9,9-Bis-(4-fluoro-phenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-nona-6,8-dienoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: n-BuLi / tetrahydrofuran; hexane / -78 °C

2: 1.) n-BuLi / 1.) THF, hexane, -78 deg C, 15 min, 2.) a) -78 deg C, 30 min, b) RT, 16 h

3: 0.2 N HCl / tetrahydrofuran / 16 h

With hydrogenchloride; n-butyllithium; In tetrahydrofuran; hexane;
DOI:10.1021/jm00173a013