2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-d5-ethyl]-4-methyl-3-oxo-pentanoic Acid, (4-Benzyloxy-phenyl)-amide

Base Information

Chemical Name:2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-d5-ethyl]-4-methyl-3-oxo-pentanoic Acid, (4-Benzyloxy-phenyl)-amide
CAS No.:1020719-44-1
Molecular Formula:C₃₃H₃₀FNO₄
Molecular Weight:528.564
Hs Code.:
DSSTox Substance ID:DTXSID90443285
Mol file:1020719-44-1.mol

Synonyms:1020719-44-1;2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-d5-ethyl]-4-methyl-3-oxo-pentanoic Acid, (4-Benzyloxy-phenyl)-amide;2-[2-(4-Fluorophenyl)-2-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)ethyl]-4-methyl-3-oxo-N-(4-phenylmethoxyphenyl)pentanamide;Benzenebutanamide, 4-fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-beta-(phenyl-2,3,4,5,6-d5)-N-[4-(phenylmethoxy)phenyl]-;DTXSID90443285;GQGGAQUHBXLZMT-SCUSKTIWSA-N;AKOS030243110;J-000594;N-[4-(Benzyloxy)phenyl]-2-[2-(4-fluorophenyl)-2-oxo-1-(~2~H_5_)phenylethyl]-4-methyl-3-oxopentanamide

Suppliers and Price of 2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-d5-ethyl]-4-methyl-3-oxo-pentanoic Acid, (4-Benzyloxy-phenyl)-amide

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-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-d5-ethyl]-4-methyl-3-oxo-pentanoicAcid,(4-Benzyloxy-phenyl)-amide
1mg
$ 140.00

American Custom Chemicals Corporation
2-(2-(4-FLUOROPHENYL)-2-OXO-1-PHENYL-D5-ETHYL)-4-METHYL-3-OXO-PENTANOIC ACID, (4-BENZYLOXY-PHENYL)-AMIDE 95.00%
10MG
$ 1732.50

American Custom Chemicals Corporation
2-(2-(4-FLUOROPHENYL)-2-OXO-1-PHENYL-D5-ETHYL)-4-METHYL-3-OXO-PENTANOIC ACID, (4-BENZYLOXY-PHENYL)-AMIDE 95.00%
1MG
$ 721.88

Total 3 raw suppliers

Chemical Property of 2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-d5-ethyl]-4-methyl-3-oxo-pentanoic Acid, (4-Benzyloxy-phenyl)-amide

Chemical Property:

PSA：72.47000
LogP:6.92420
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:528.24727033
Heavy Atom Count:39
Complexity:788

Purity/Quality:

97% ^*data from raw suppliers

2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-d5-ethyl]-4-methyl-3-oxo-pentanoicAcid,(4-Benzyloxy-phenyl)-amide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(=O)C(C(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4
Isomeric SMILES:[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C(C(=O)C(C)C)C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)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 2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-d5-ethyl]-4-methyl-3-oxo-pentanoic Acid, (4-Benzyloxy-phenyl)-amide

There total 5 articles about 2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-d5-ethyl]-4-methyl-3-oxo-pentanoic Acid, (4-Benzyloxy-phenyl)-amide 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:

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

: 1020719-44-1
C₃₃H₂₅⁽²⁾H₅FNO₄

Guidance literature:: Multi-step reaction with 2 steps

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

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

With 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; acetic acid; triethylamine; 3-amino propanoic acid; In ethanol; hexane; 1: Condensation / 2: Addition;
DOI:10.1002/(SICI)1099-1344(20000315)43:3<261::AID-JLCR312>3.0.CO;2-T

Reference yield:

: 6373-46-2
p-benzyloxyaniline

: 1020719-44-1
C₃₃H₂₅⁽²⁾H₅FNO₄

Guidance literature:: Multi-step reaction with 3 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

With 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; acetic acid; triethylamine; 3-amino propanoic acid; In ethanol; hexane; toluene; 1: Acylation / 2: Condensation / 3: Addition;
DOI:10.1002/(SICI)1099-1344(20000315)43:3<261::AID-JLCR312>3.0.CO;2-T

Reference yield:

: isobutyryl Meldrum's acid

: 1020719-44-1
C₃₃H₂₅⁽²⁾H₅FNO₄

Guidance literature:: Multi-step reaction with 3 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

With 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; acetic acid; triethylamine; 3-amino propanoic acid; In ethanol; hexane; toluene; 1: Acylation / 2: Condensation / 3: Addition;
DOI:10.1002/(SICI)1099-1344(20000315)43:3<261::AID-JLCR312>3.0.CO;2-T