(6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B

Base Information

Chemical Name:(6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B
CAS No.:265989-40-0
Molecular Formula:C40H47FN2O6
Molecular Weight:670.8093832
Hs Code.:
DSSTox Substance ID:DTXSID50472970
Wikidata:Q82302159
Mol file:265989-40-0.mol

(6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B

Synonyms:265989-40-0;tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate;(6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester;1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-;(6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B;6beta-Hydroxycortisone-d7;DTXSID50472970;AKOS030243247;2-Hydroxy Atorvastatin Acetonide tert-Butyl Ester;tert-Butyl [(4R,6R)-6-{2-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate;tert-butyl 2-[(4R, 6R)-6-[2-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethyl]-2, 2-dimethyl-1, 3-dioxan-4-yl]acetate

Suppliers and Price of (6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B

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

TRC
2-HydroxyAtorvastatinAcetonidetert-ButylEster
2mg
$ 85.00

Medical Isotopes, Inc.
2-HydroxyAtorvastatinAcetonidetert-ButylEster
50 mg
$ 2120.00

American Custom Chemicals Corporation
(6-(2-(2-(4-FLUORO-PHENYL)-4-(2-HYDROXY-PHENYLCARBAMOYL)-5-ISOPROPYL-3-PHENYL-PYRROL-1-YL)-ETHYL)-2,2-DIMETHYL-(1,3)-DIOXANE-4-YL)-ACETIC ACID, TERT-BUTYL ESTER 95.00%
100MG
$ 2055.90

American Custom Chemicals Corporation
(6-(2-(2-(4-FLUORO-PHENYL)-4-(2-HYDROXY-PHENYLCARBAMOYL)-5-ISOPROPYL-3-PHENYL-PYRROL-1-YL)-ETHYL)-2,2-DIMETHYL-(1,3)-DIOXANE-4-YL)-ACETIC ACID, TERT-BUTYL ESTER 95.00%
1MG
$ 739.20

Total 3 raw suppliers

Chemical Property of (6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B

Chemical Property:

Boiling Point:694.8±55.0 °C(Predicted)
PKA:9.33±0.35(Predicted)
PSA：99.02000
Density:1.18±0.1 g/cm3(Predicted)
LogP:9.14760
Solubility.:Acetone, Chloroform, Dichloromethane, Ethyl Acetate
XLogP3:7.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:670.34181539
Heavy Atom Count:49
Complexity:1080

Purity/Quality:

97% ^*data from raw suppliers

2-HydroxyAtorvastatinAcetonidetert-ButylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5O
Isomeric SMILES:CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5O

Technology Process of (6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B

There total 6 articles about (6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-B 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: 35.0%

: 265989-39-7
(4R-cis)-1,1-dimethylethyl-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(4-benzyloxyphenyl)carbonyl]-1H-pyrrol-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

: 265989-40-0
((4R,6R)-6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester

Guidance literature:: With hydrogen; acetic acid; palladium on activated charcoal; In ethyl acetate;
DOI:10.1002/(SICI)1099-1344(20000315)43:3<261::AID-JLCR312>3.0.CO;2-T

Reference yield:

: 20012-63-9
o-(benzyloxy)aniline

: 265989-40-0
((4R,6R)-6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 76 percent / toluene / Heating

2: β-alanine; glacial acetic acid / hexane / Heating

3: 3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide; triethylamine / ethanol / Heating

4: pivalic acid / tetrahydrofuran; toluene; heptane / Heating

5: 35 percent / hydrogen; acetic acid / palladium on carbon / ethyl acetate

With hydrogen; 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; acetic acid; triethylamine; 3-amino propanoic acid; Trimethylacetic acid; palladium on activated charcoal; In tetrahydrofuran; ethanol; hexane; n-heptane; ethyl acetate; toluene; 1: Acylation / 2: Condensation / 3: Addition / 4: Cycloaddition / 5: Hydrogenolysis;
DOI:10.1002/(SICI)1099-1344(20000315)43:3<261::AID-JLCR312>3.0.CO;2-T

Reference yield:

: 4560-41-2
2-benzyloxynitrobenzene

: 265989-40-0
((4R,6R)-6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 7 steps

1: 67 percent / sodium dithionite / methanol

2: 76 percent / toluene / Heating

3: β-alanine; glacial acetic acid / hexane / Heating

4: 3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide; triethylamine / ethanol / Heating

5: pivalic acid / tetrahydrofuran; toluene; heptane / Heating

6: 35 percent / hydrogen; acetic acid / palladium on carbon / ethyl acetate

7: HCl / tetrahydrofuran; H₂O / 20 °C

With hydrogenchloride; sodium dithionite; hydrogen; 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; acetic acid; triethylamine; 3-amino propanoic acid; Trimethylacetic acid; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; hexane; n-heptane; water; ethyl acetate; toluene; 1: Reduction / 2: Acylation / 3: Condensation / 4: Addition / 5: Cycloaddition / 6: Hydrogenolysis / 7: Hydrolysis;
DOI:10.1002/(SICI)1099-1344(20000315)43:3<261::AID-JLCR312>3.0.CO;2-T