2-(4-Bromophenyl)-2-oxoethyl (2S)-2-methylbutanoate

Base Information

• Chemical Name: 2-(4-Bromophenyl)-2-oxoethyl (2S)-2-methylbutanoate
• CAS No.: 52619-46-2
• Molecular Formula: C13H15BrO3
• Molecular Weight: 299.164
• DSSTox Substance ID: DTXSID20554757
• Nikkaji Number: J2.985.890J
• Wikidata: Q82435918
• Mol file: 52619-46-2.mol

Synonyms:52619-46-2;2-(4-Bromophenyl)-2-oxoethyl (2S)-2-methylbutanoate;DTXSID20554757

Chemical Property of 2-(4-Bromophenyl)-2-oxoethyl (2S)-2-methylbutanoate

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 298.02046
• Heavy Atom Count: 17
• Complexity: 270

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)OCC(=O)C1=CC=C(C=C1)Br
• Isomeric SMILES: CC[C@H](C)C(=O)OCC(=O)C1=CC=C(C=C1)Br

Technology Process of 2-(4-Bromophenyl)-2-oxoethyl (2S)-2-methylbutanoate

There total 8 articles about 2-(4-Bromophenyl)-2-oxoethyl (2S)-2-methylbutanoate 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: 98.0%

(S)-2-Methylbutyric acid (1730-91-2) + para-bromophenacyl bromide (99-73-0,132309-76-3) → (S)-(+)-2-Methylbutyric acid acid p-bromophenacyl ester (52619-46-2)

Guidance literature:

With potassium fluoride; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/ol991351p

Reference yield:

(3S,11S)-dihydroxytetradecanioc acid methyl ester 11-O-β-D-quinovopyranosyl-(1→4)-O-[2-O-(2S-methylbutyryl)]-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl-(1→2)-O-[2-O-3R-O-(3R-hydroxy-2R-methylbutyryl)-2R-hydroxy-2R-methylbutyryl]-O-[α-L-rhamnopyranosyl-(1→6)]-O-β-D-glucopyranoside + para-bromophenacyl bromide (99-73-0,132309-76-3) → (S)-(+)-2-Methylbutyric acid acid p-bromophenacyl ester (52619-46-2) + (-)-4-bromophenacyl (2R,3R)-3-hydroxy-2-methylbutyrate (114892-48-7) + Pharbitic Acid C

Guidance literature:

(3S,11S)-dihydroxytetradecanioc acid methyl ester 11-O-β-D-quinovopyranosyl-(1→4)-O-[2-O-(2S-methylbutyryl)]-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranosyl-(1→2)-O-[2-O-3R-O-(3R-hydroxy-2R-methylbutyryl)-2R-hydroxy-2R-methylbutyryl]-O-[α-L-rhamnopyranosyl-(1→6)]-O-β-D-glucopyranoside; With potassium carbonate; at 80 ℃; for 3h;

para-bromophenacyl bromide; With triethylamine; In acetone; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2017.03.059

Reference yield:

pharesinoside E + para-bromophenacyl bromide (99-73-0,132309-76-3) → (S)-(+)-2-Methylbutyric acid acid p-bromophenacyl ester (52619-46-2) + (-)-4-bromophenacyl (2R,3R)-3-hydroxy-2-methylbutyrate (114892-48-7) + Pharbitic Acid D

Guidance literature:

pharesinoside E; With potassium carbonate; at 80 ℃; for 3h;

para-bromophenacyl bromide; With triethylamine; In acetone; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2017.03.059

upstream raw materials:

(S)-2-Methylbutyric acid

para-bromophenacyl bromide

methyl 3S,11S-dihydroxytetradecanoate 11-O-α-L-rhamnopyranosyl-(1->3)-O-[4-O-2R-methyl-3R-O-(2R-methyl-3R-hydroxybutyryl)butyryl]-β-D-quinovopyranosyl-(1->4)-O-(2-O-2S-methylbutyryl)-α-L-rhamnopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->2)-[O-(4-O-2S-methyl-3S-hydroxybutyryl)-α-L-rhamnopyranosyl-(1->6)]-β-D-glucopyranoside

methyl 3S,11S-dihydroxytetradecanoate 11-O-β-D-quinovopyranosyl-(1->4)-O-(2-O-2S-methylbutyryl)-α-L-rhamnopyranosyl-(1->2)-O-β-D-glucopyranosyl-(1->2)-{[4-O-2R-methyl-3R-O-(2R-methyl-3R-hydroxybutyryl)butyryl]-O-α-L-rhamnopyranosyl-(1->6)}-β-D-glucopyranoside

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