2-Oxepanone,5-(1-methylethyl)-,(S)-(9CI)

Base Information

• Chemical Name: 2-Oxepanone,5-(1-methylethyl)-,(S)-(9CI)
• CAS No.: 151357-02-7
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.225
• Mol file: 151357-02-7.mol

Synonyms:2-Oxepanone,5-(1-methylethyl)-, (S)- (9CI)

Chemical Property of 2-Oxepanone,5-(1-methylethyl)-,(S)-(9CI)

Chemical Property:

• Boiling Point: 238.9±8.0 °C(Predicted)
• PSA: 0.00000
• Density: 0.953±0.06 g/cm3(Predicted)
• LogP: 0.00000

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-Oxepanone,5-(1-methylethyl)-,(S)-(9CI)

There total 4 articles about 2-Oxepanone,5-(1-methylethyl)-,(S)-(9CI) 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: 75.0%

4-isopropyl-cyclohexanone (5432-85-9) → (+)-(R)-5-isopropyloxepan-2-one (655233-10-6,151357-02-7,343864-16-4)

Guidance literature:

4-isopropyl-cyclohexanone; With C₄₉H₇₆N₄O₄; scandium tris(trifluoromethanesulfonate); In ethyl acetate; at 35 ℃; for 0.5h;

With 3-chloro-benzenecarboperoxoic acid; In ethyl acetate; at -20 ℃; for 18h; enantioselective reaction;

DOI:10.1021/ja309262f

Reference yield: 60.0%

4-isopropyl-cyclohexanone (5432-85-9) → 4-isopropylcyclohexanol (4621-04-9) + (S)-5-isopropyloxepan-2-one (151357-02-7,343864-16-4)

Guidance literature:

at 30 ℃; Saccharomyces cerevisiae 15C(pKR₀₀₁), YEP-galactose;

DOI:10.1039/P19960000755

Reference yield: 60.0%

4-isopropyl-cyclohexanone (5432-85-9) → (S)-5-isopropyloxepan-2-one (151357-02-7,343864-16-4)

Guidance literature:

With sodium hydroxide; oxygen; glycine; cyclohexanone oxygenase ;

DOI:10.1016/S0957-4166(00)80248-7

upstream raw materials:

4-isopropyl-cyclohexanone

Refernces

• 1、 Stewart, Jon D.,Reed, Kieth W.,Martinez, Carlos A.,Zhu, Jun,Chen, Gang,Kayser, Margaret M.. "Recombinant baker's yeast as a whole-cell catalyst for asymmetric Baeyer - Villiger oxidations". . p. 3541 - 3548. Retrieved 1998.
• 2、 Zhou, Lin,Liu, Xiaohua,Ji, Jie,Zhang, Yuheng,Hu, Xiaolei,Lin, Lili,Feng, Xiaoming. "Enantioselective baeyer-villiger oxidation: Desymmetrization of meso cyclic ketones and kinetic resolution of racemic 2-arylcyclohexanones". supporting information. p. 17023 - 17026,4. Retrieved 2012/12/12.
• 3、 Zhou, Lin,Liu, Xiaohua,Ji, Jie,Zhang, Yuheng,Hu, Xiaolei,Lin, Lili,Feng, Xiaoming. "Erratum: Enantioselective baeyer-villiger oxidation: Desymmetrization of meso cyclic ketones and kinetic resolution of racemic 2-arylcyclohexanones (Journal of the American Chemical Society (2012) 134 (17023-17026) DOI:10.1021/ja309262f)". supporting information. p. 20208 - 20208. Retrieved 2013/02/23.