4-(Benzyloxy)cyclohexanone

Base Information

• Chemical Name: 4-(Benzyloxy)cyclohexanone
• CAS No.: 2987-06-6
• Molecular Formula: C13H16O2
• Molecular Weight: 204.269
• Hs Code.: 2914509090
• European Community (EC) Number: 812-268-3
• DSSTox Substance ID: DTXSID30450877
• Nikkaji Number: J101.627J
• Wikidata: Q82270709
• Mol file: 2987-06-6.mol

Synonyms:4-(Benzyloxy)cyclohexanone;2987-06-6;4-Benzyloxycyclohexanone;4-Benzyloxy-cyclohexanone;4-(Phenylmethoxy)cyclohexanone;4-(benzyloxy)cyclohexan-1-one;4-phenylmethoxycyclohexan-1-one;MFCD10697867;Cyclohexanone, 4-(phenylmethoxy)-;4-benzoxycyclohexanone;4-benzyloxy cyclohexanone;SCHEMBL416422;1-(Benzyloxy)-4-oxocyclohexane;DTXSID30450877;FFGVIYUANJAFJS-UHFFFAOYSA-N;4-(Phenylmethoxy)cyclohexan-1-one;AMY13999;FD6003;AKOS015906831;AB60690;CS-W005145;SS-4801;SY032072;FT-0662935;EN300-72302;A903564;J-200163

Chemical Property of 4-(Benzyloxy)cyclohexanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 319.923 °C at 760 mmHg
• Flash Point: 139.072 °C
• PSA: 26.30000
• Density: 1.073 g/cm³
• LogP: 2.71490
• Storage Temp.: -20?C Freezer
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

4-Benzyloxycyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)CCC1OCC2=CC=CC=C2

Technology Process of 4-(Benzyloxy)cyclohexanone

There total 23 articles about 4-(Benzyloxy)cyclohexanone 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: 99.0%

4-(benzyloxy)cyclohexan-1-ol (2976-80-9) → 4-(benzyloxy)cyclohexanone (2987-06-6)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -40 - 0 ℃;

DOI:10.1021/jo060968z

Reference yield: 97.0%

1,4-dioxaspiro<4,5>decan-8-ol benzyl ether (92829-83-9) → 4-(benzyloxy)cyclohexanone (2987-06-6)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; acetonitrile; at 70 ℃; for 0.0333333h;

DOI:10.1016/S0040-4039(99)00013-1

Reference yield: 87.0%

8-Benzyloxy-2-(4-methoxy-phenyl)-1,4-dioxa-spiro[4.5]decane (154410-53-4) → 4-(benzyloxy)cyclohexanone (2987-06-6)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; water; Ambient temperature;

DOI:10.1016/0040-4039(94)88161-8

upstream raw materials:

4-(benzyloxy)cyclohexan-1-ol

1,4-dioxaspiro<4,5>decan-8-ol benzyl ether

8-Benzyloxy-2-(4-methoxy-phenyl)-1,4-dioxa-spiro[4.5]decane

4,4-ethylenedioxycyclohexan-1-ol

Downstream raw materials:

(4t-benzyloxy-1-cyano-cyclohex-r-yl)-acetonitrile

(4c-benzyloxy-1-cyano-cyclohex-r-yl)-acetonitrile

8-(4-benzyloxy-cyclohexyl)-4-ethyl-1-oxa-3,8-diaza-spiro[4.5]decan-2-one

4-(benzyloxy)-1-(1,3-benzodioxol-5-yl)cyclohex-1-ene

Refernces

• 1、 -. "EMULSION WITH IMPROVED BIOABSORPTION COMPOSITION COMPRISING CATIONIC POLYESTER COPOLYMER AND HYDROPHOBIC DRUG AND METHOD FOR PREPARING THE SAME". Paragraph 0122; 0126. . Retrieved 2019/01/12.
• 2、 Akhtar, Wasim M.,Cheong, Choon Boon,Frost, James R.,Christensen, Kirsten E.,Stevenson, Neil G.,Donohoe, Timothy J.. "Hydrogen Borrowing Catalysis with Secondary Alcohols: A New Route for the Generation of β-Branched Carbonyl Compounds". supporting information. p. 2577 - 2580. Retrieved 2017/03/01.