2-Oxazolidinone, 3-[(4S)-4-methyl-1-oxohexyl]-4-(phenylmethyl)-, (4S)-

Base Information

Chemical Name:2-Oxazolidinone, 3-[(4S)-4-methyl-1-oxohexyl]-4-(phenylmethyl)-, (4S)-
CAS No.:185201-02-9
Molecular Formula:C17H23NO3
Molecular Weight:289.375
Hs Code.:
DSSTox Substance ID:DTXSID50445503
Wikidata:Q82263936

Synonyms:2-Oxazolidinone, 3-[(4S)-4-methyl-1-oxohexyl]-4-(phenylmethyl)-, (4S)-;185201-02-9;SCHEMBL14303703;DTXSID50445503

Suppliers and Price of 2-Oxazolidinone, 3-[(4S)-4-methyl-1-oxohexyl]-4-(phenylmethyl)-, (4S)-

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

Total 1 raw suppliers

Chemical Property of 2-Oxazolidinone, 3-[(4S)-4-methyl-1-oxohexyl]-4-(phenylmethyl)-, (4S)-

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:289.16779360
Heavy Atom Count:21
Complexity:363

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)CCC(=O)N1C(COC1=O)CC2=CC=CC=C2
Isomeric SMILES:CC[C@H](C)CCC(=O)N1[C@H](COC1=O)CC2=CC=CC=C2

Technology Process of 2-Oxazolidinone, 3-[(4S)-4-methyl-1-oxohexyl]-4-(phenylmethyl)-, (4S)-

There total 6 articles about 2-Oxazolidinone, 3-[(4S)-4-methyl-1-oxohexyl]-4-(phenylmethyl)-, (4S)- 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: 86.5%

: 6860-46-4
(4S)-4-methylhexanoyl chloride

: 90719-32-7
(S)-4-Benzyl-2-oxazolidinone

: 185201-02-9
(S)-4-Benzyl-3-((S)-4-methyl-hexanoyl)-oxazolidin-2-one

Guidance literature:: (S)-4-Benzyl-2-oxazolidinone; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.666667h;

(4S)-4-methylhexanoyl chloride; In tetrahydrofuran; hexane; at -78 ℃; for 1.5h;

Reference yield:

: 1730-89-8
(S)-4-methylhexanoic acid

: 185201-02-9
(S)-4-Benzyl-3-((S)-4-methyl-hexanoyl)-oxazolidin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / oxalyl chloride, DMF / CH₂Cl₂ / 2 h / Ambient temperature

2: 1.) n-BuLi / 1.) THF, -78 deg C, 20 min, 2.) THF, -78 deg C, 2.5 h; -78 deg C to room temperature

With n-butyllithium; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1021/jo961533m

Reference yield:

: 1565-80-6
(2S)-2-methyl-1-butanol

: 185201-02-9
(S)-4-Benzyl-3-((S)-4-methyl-hexanoyl)-oxazolidin-2-one

Guidance literature:: Multi-step reaction with 5 steps

1: I₂, PPh₃, imidazole / diethyl ether; acetonitrile / 0 °C

2: 1.) LDA, 2.) N,N'-dimethylpropyleneurea / 1.) THF, -78 deg C, 50 min, 2.) -78 deg C, 5 min; -42 deg C, 3 h; -42 deg C to room temperature

3: 66 percent / TFA / CH₂Cl₂ / 1.) 0 deg C, 2.5 h, 2.) room temperature, 2.5 h

4: 99 percent / oxalyl chloride, DMF / CH₂Cl₂ / 2 h / Ambient temperature

5: 1.) n-BuLi / 1.) THF, -78 deg C, 20 min, 2.) THF, -78 deg C, 2.5 h; -78 deg C to room temperature

With 1H-imidazole; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; n-butyllithium; oxalyl dichloride; iodine; N,N-dimethyl-formamide; triphenylphosphine; trifluoroacetic acid; lithium diisopropyl amide; In diethyl ether; dichloromethane; acetonitrile;
DOI:10.1021/jo961533m