(2S)-1-(4-Methoxyphenyl)-2-methylbutan-1-one

Base Information

Chemical Name:(2S)-1-(4-Methoxyphenyl)-2-methylbutan-1-one
CAS No.:27763-55-9
Molecular Formula:C12H16O2
Molecular Weight:192.258
Hs Code.:
DSSTox Substance ID:DTXSID00503965
Nikkaji Number:J1.912.887C
Wikidata:Q82358124
Mol file:27763-55-9.mol

Synonyms:(2S)-1-(4-Methoxyphenyl)-2-methylbutan-1-one;27763-55-9;DTXSID00503965;(+)-4'-methoxy-(2s)-methylbutyrophenone

Suppliers and Price of (2S)-1-(4-Methoxyphenyl)-2-methylbutan-1-one

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
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price

Total 0 raw suppliers

Chemical Property of (2S)-1-(4-Methoxyphenyl)-2-methylbutan-1-one

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:192.115029749
Heavy Atom Count:14
Complexity:181

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (2S)-1-(4-Methoxyphenyl)-2-methylbutan-1-one

There total 3 articles about (2S)-1-(4-Methoxyphenyl)-2-methylbutan-1-one 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: 89.0%

: 13139-86-1
4-methoxyphenyl magnesium bromide

: 321164-60-7
(S)-N-methoxy-2,N-dimethylbutanamide

: 27763-55-9
(S)-1-(4-Methoxy-phenyl)-2-methyl-butan-1-one

Guidance literature:: In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.1c02660

Reference yield:

: 121-97-1
4-Methoxypropiophenone

: 27763-55-9
(S)-1-(4-Methoxy-phenyl)-2-methyl-butan-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: CF₃COOH / benzene / 48 h / Heating

2: 1.) LDA / 1.) THF, -20 deg C, 1 h; reflux, 2 h, 2.) -78 deg C

With trifluoroacetic acid; lithium diisopropyl amide; In benzene;
DOI:10.1021/ja00401a029

Reference yield:

: 75-03-6
ethyl iodide

: 77858-00-5
((S)-1-Methoxymethyl-2-phenyl-ethyl)-[1-(4-methoxy-phenyl)-prop-(E)-ylidene]-amine

: 77942-74-6
(R)-1-(4-Methoxy-phenyl)-2-methyl-butan-1-one

: 27763-55-9
(S)-1-(4-Methoxy-phenyl)-2-methyl-butan-1-one

Guidance literature:: With lithium diisopropyl amide; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) THF, -20 deg C, 1 h; reflux, 2 h, 2.) -78 deg C;
DOI:10.1021/ja00401a029