Tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Base Information

Chemical Name:Tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CAS No.:265989-38-6
Molecular Formula:C40H42D5FN2O6
Molecular Weight:675.84019209
Hs Code.:
DSSTox Substance ID:DTXSID50442956
Wikidata:Q82260587
Mol file:265989-38-6.mol

Tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Synonyms:265989-38-6;Tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate;4-Hydroxy Atorvastatin-d5 Acetonide tert-Butyl Ester;CTK8F1939;DTXSID50442956;AQMFQOCFGPMVGX-DHJJOHBTSA-N;CS-T-54918;(6-{2-[2-(4-Fluoro-phenyl)-4-(4-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester

Suppliers and Price of Tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

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
4-HydroxyAtorvastatin-d5Acetonidetert-ButylEster
10mg
$ 1320.00

TRC
4-HydroxyAtorvastatin-d5Acetonidetert-ButylEster
1mg
$ 165.00

Medical Isotopes, Inc.
4-Hydroxy Atorvastatin-d5 Acetonide tert-Butyl Ester
10 mg
$ 2200.00

Medical Isotopes, Inc.
4-HydroxyAtorvastatin-d5Acetonidetert-ButylEster
1 mg
$ 650.00

Total 4 raw suppliers

Chemical Property of Tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Chemical Property:

PSA：99.02000
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:675.37319912
Heavy Atom Count:49
Complexity:1070

Purity/Quality:

≥98% by HPLC ^*data from raw suppliers

4-HydroxyAtorvastatin-d5Acetonidetert-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=C(C=C5)O
Isomeric SMILES:[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=C(C=C3)O)C(C)C)CC[C@@H]4C[C@@H](OC(O4)(C)C)CC(=O)OC(C)(C)C)C5=CC=C(C=C5)F)[2H])[2H]
Uses A deuterated intermediate of the metabolite of Atorvastin, a selective, competitive HMG-CoA reductase inhibitor. Atorvastin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.

Technology Process of Tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

There total 7 articles about Tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate 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: 93.0%

: 265989-37-5
C₄₇H₄₈⁽²⁾H₅FN₂O₆

: 265989-38-6
C₄₀H₄₂⁽²⁾H₅FN₂O₆

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:

: 14132-51-5
2,3,4,5,6-pentadeuteriobenzaldehyde

: 265989-38-6
C₄₀H₄₂⁽²⁾H₅FN₂O₆

Guidance literature:: Multi-step reaction with 4 steps

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

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

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

4: 93 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: Condensation / 2: Addition / 3: Cycloaddition / 4: Hydrogenolysis;
DOI:10.1002/(SICI)1099-1344(20000315)43:3<261::AID-JLCR312>3.0.CO;2-T

Reference yield:

: 6373-46-2
p-benzyloxyaniline

: 265989-38-6
C₄₀H₄₂⁽²⁾H₅FN₂O₆

Guidance literature:: Multi-step reaction with 5 steps

1: 82 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: 93 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