rel-(4R,10R)-4-Hydroxy-10-methyl-2-oxecanone

Base Information

Chemical Name:rel-(4R,10R)-4-Hydroxy-10-methyl-2-oxecanone
CAS No.:65450-86-4
Molecular Formula:C₁₀H₁₈O₃
Molecular Weight:186.251
Hs Code.:
DSSTox Substance ID:DTXSID101259100
Nikkaji Number:J11.104J
Wikidata:Q105004548

Synonyms:rel-(4R,10R)-4-Hydroxy-10-methyl-2-oxecanone;DTXSID101259100;65450-86-4

Suppliers and Price of rel-(4R,10R)-4-Hydroxy-10-methyl-2-oxecanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of rel-(4R,10R)-4-Hydroxy-10-methyl-2-oxecanone

Chemical Property:

XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:186.125594432
Heavy Atom Count:13
Complexity:168

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CCCCCC(CC(=O)O1)O
Isomeric SMILES:C[C@@H]1CCCCC[C@H](CC(=O)O1)O

Technology Process of rel-(4R,10R)-4-Hydroxy-10-methyl-2-oxecanone

There total 13 articles about rel-(4R,10R)-4-Hydroxy-10-methyl-2-oxecanone 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: 43.0%

: C₁₇H₃₂O₅S

: 56020-70-3,65450-86-4,65450-87-5
(4S,10R)-4-hydroxy-10-methyloxecan-2-one

Guidance literature:: With recombinant DcsB protein from Beauvera bassiana ARSEF 2860; In aq. phosphate buffer; at 30 ℃; pH=7.4; Catalytic behavior; Enzymatic reaction;
DOI:10.1021/jacs.0c11226

Reference yield:

: C₁₀H₁₈O₄

: 56020-70-3,65450-86-4,65450-87-5
(4S,10R)-4-hydroxy-10-methyloxecan-2-one

Guidance literature:: Multi-step reaction with 7 steps

1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C

2: recombinant DcsB protein from Beauvera bassiana ARSEF 2860 / aq. phosphate buffer / 30 °C / pH 7.4 / Enzymatic reaction

3: hydrogen; palladium 10% on activated carbon / methanol / 20 °C / 760.05 Torr

4: triphenylphosphine; di-isopropyl azodicarboxylate / toluene / 20 h / 0 - 20 °C

5: water; sodium hydroxide / methanol; tetrahydrofuran / 12 h / 75 °C

6: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C

7: recombinant DcsB protein from Beauvera bassiana ARSEF 2860 / aq. phosphate buffer / 30 °C / pH 7.4 / Enzymatic reaction

With dmap; di-isopropyl azodicarboxylate; palladium 10% on activated carbon; water; hydrogen; recombinant DcsB protein from Beauvera bassiana ARSEF 2860; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; triphenylphosphine; sodium hydroxide; In tetrahydrofuran; methanol; aq. phosphate buffer; dichloromethane; toluene;
DOI:10.1021/jacs.0c11226

Reference yield:

: butyl 3-{[(3S,9R,E)-3,9-dihydroxydec-4-enoyl]thio}propanoate

: 56020-70-3,65450-86-4,65450-87-5
(4S,10R)-4-hydroxy-10-methyloxecan-2-one

Guidance literature:: Multi-step reaction with 6 steps

1: recombinant DcsB protein from Beauvera bassiana ARSEF 2860 / aq. phosphate buffer / 30 °C / pH 7.4 / Enzymatic reaction

2: hydrogen; palladium 10% on activated carbon / methanol / 20 °C / 760.05 Torr

3: triphenylphosphine; di-isopropyl azodicarboxylate / toluene / 20 h / 0 - 20 °C

4: water; sodium hydroxide / methanol; tetrahydrofuran / 12 h / 75 °C

5: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap; N-ethyl-N,N-diisopropylamine / dichloromethane / 0 - 20 °C

6: recombinant DcsB protein from Beauvera bassiana ARSEF 2860 / aq. phosphate buffer / 30 °C / pH 7.4 / Enzymatic reaction

With dmap; di-isopropyl azodicarboxylate; palladium 10% on activated carbon; water; hydrogen; recombinant DcsB protein from Beauvera bassiana ARSEF 2860; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; triphenylphosphine; sodium hydroxide; In tetrahydrofuran; methanol; aq. phosphate buffer; dichloromethane; toluene;
DOI:10.1021/jacs.0c11226