(3S,5R,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid

Base Information

Chemical Name:(3S,5R,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid
CAS No.:254452-86-3
Molecular Formula:C₂₅H₂₄FNO₄
Molecular Weight:421.468
Hs Code.:29334900
DSSTox Substance ID:DTXSID00478205
Nikkaji Number:J1.195.501K
Wikidata:Q72460852
Mol file:254452-86-3.mol

Synonyms:254452-86-3;(3S,5R,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid;(3S,5R,6E)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-3-QUINOLINYL]-3,5-DIHYDROXY-6-HEPTENOIC ACID;(E,3S,5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid;(E,3S,5R)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid;254452-88-5;SCHEMBL2878610;DTXSID00478205;4509A;(3S,5R)-Enantiomer of Pitavastatin free acid;A852500;(3S,5R,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoicacid;(E, 3S, 5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3, 5-dihydroxyhept-6-enoic acid

Suppliers and Price of (3S,5R,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
(3S,5R,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoicacid 95+%
1g
$ 1623.00

Chemenu
(3S,5R,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoicacid 95%
1g
$ 1530.00

Alichem
(3S,5R,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoicacid
1g
$ 1313.00

Total 14 raw suppliers

Chemical Property of (3S,5R,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid

Chemical Property:

Boiling Point:692.0±55.0 °C(Predicted)
PKA:4.24±0.10(Predicted)
PSA：90.65000
Density:1.352±0.06 g/cm3(Predicted)
LogP:4.51810
Storage Temp.:2-8°C
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:421.16893641
Heavy Atom Count:31
Complexity:631

Purity/Quality:

97% ^*data from raw suppliers

(3S,5R,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)O)O)O)C4=CC=C(C=C4)F
Isomeric SMILES:C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C4=CC=C(C=C4)F

Technology Process of (3S,5R,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid

There total 7 articles about (3S,5R,E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic 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:

: 141750-58-5
(4R)-4,7,7-trimethyl-3-exo-(1-naphthyl)bicyclo<2.2.1>heptan-2-exo-yl (3S,5R,6E)-7-<2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl>-3,5-dihydroxy-6-heptenoate

: 86835-18-9
(4S)-3-exo-(1-naphthyl)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-exo-ol

: 254452-86-3,147511-69-1,688735-41-3,769908-13-6,121659-03-8
(E)-(3S,5R)-7-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dihydroxy-hept-6-enoic acid

Guidance literature:: With sodium hydroxide; In methanol; for 12h; Ambient temperature;
DOI:10.1246/bcsj.68.350

Reference yield:

: 121660-11-5
2-cyclopropyl-4-(4-fluorophenyl)-3-(hydroxymethyl)quinoline

: 254452-86-3,147511-69-1,688735-41-3,769908-13-6,121659-03-8
(E)-(3S,5R)-7-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dihydroxy-hept-6-enoic acid

Guidance literature:: Multi-step reaction with 6 steps

1.1: DMSO; P₂O₅; Et₃N

2.1: NaOH; (n-octyl)3MeNCl / toluene; H₂O

3.1: DIBAH

4.1: NaH; n-BuLi

5.1: NaBH₄; Et₂BOMe / -78 °C

6.1: aq. NaOH

6.2: (-)-α-methylbenzylamine

With sodium hydroxide; sodium tetrahydroborate; n-butyllithium; diethyl methoxy borane; phosphorus pentoxide; Aliquat 336; sodium hydride; diisobutylaluminium hydride; dimethyl sulfoxide; triethylamine; In water; toluene; 1.1: Oxidation / 2.1: Condensation / 3.1: Reduction / 4.1: Condensation / 5.1: Reduction / 6.1: Hydrolysis / 6.2: resolution;
DOI:10.1016/S0960-894X(99)00519-3

Reference yield:

: 121660-37-5
2-cyclopropyl-4-(4-fluorophenyl)-3-formylquinoline

: 254452-86-3,147511-69-1,688735-41-3,769908-13-6,121659-03-8
(E)-(3S,5R)-7-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dihydroxy-hept-6-enoic acid

Guidance literature:: Multi-step reaction with 5 steps

1.1: NaOH; (n-octyl)3MeNCl / toluene; H₂O

2.1: DIBAH

3.1: NaH; n-BuLi

4.1: NaBH₄; Et₂BOMe / -78 °C

5.1: aq. NaOH

5.2: (-)-α-methylbenzylamine

With sodium hydroxide; sodium tetrahydroborate; n-butyllithium; diethyl methoxy borane; Aliquat 336; sodium hydride; diisobutylaluminium hydride; In water; toluene; 1.1: Condensation / 2.1: Reduction / 3.1: Condensation / 4.1: Reduction / 5.1: Hydrolysis / 5.2: resolution;
DOI:10.1016/S0960-894X(99)00519-3