Cyclohexanone-d10

Base Information

• Chemical Name: Cyclohexanone-d10
• CAS No.: 51209-49-5
• Molecular Formula: C6D10 O
• Molecular Weight: 108.065
• European Community (EC) Number: 257-058-7
• DSSTox Substance ID: DTXSID80965481
• Nikkaji Number: J261.659I
• Wikidata: Q82947690
• Mol file: 51209-49-5.mol

Synonyms:Cyclohexanone-d10;51209-49-5;(2H10)Cyclohexanone;2,2,3,3,4,4,5,5,6,6-Decadeuteriocyclohexan-1-one;EINECS 257-058-7;CYCLOHEXANONE-D10-D;d10-cyclohexanone;(~2~H_10_)Cyclohexanone;SCHEMBL753633;DTXSID80965481;Cyclohexanone-d10, 98 atom % D;D99430

Chemical Property of Cyclohexanone-d10

Chemical Property:

• Vapor Pressure: 2.99mmHg at 25°C
• Melting Point: -47 °C(lit.)
• Refractive Index: n20/D 1.45(lit.)
• Boiling Point: 153 °C(lit.)
• Flash Point: 46.7°C
• PSA: 17.07000
• Density: 0.953g/cm³
• LogP: 1.51960
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 108.135932398
• Heavy Atom Count: 7
• Complexity: 68.2

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexanone-d10 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20
• Safety Statements: 25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(=O)CC1
• Isomeric SMILES: [2H]C1(C(=O)C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]

Technology Process of Cyclohexanone-d10

There total 11 articles about Cyclohexanone-d10 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: 82.0%

[D11]-cyclohexanol (93131-17-0) → perdeuterocyclohexanone (51209-49-5)

Guidance literature:

With aluminum oxide; pyridinium chlorochromate; In dichloromethane; for 5h; Ambient temperature;

Reference yield: 64.0%

d12-cyclohexanol (66522-78-9) → perdeuterocyclohexanone (51209-49-5)

Guidance literature:

With pyridinium chlorochromate absorbed on neutral alumina; In hexane; Heating;

DOI:10.1071/CH01179

Reference yield: 23.0%

Cyclohexane-d12 (1735-17-7) → perdeuterocyclohexanone (51209-49-5)

Guidance literature:

With chromium(VI) oxide; tetrabutylammonium periodite; In dichloromethane; acetonitrile; at -20 ℃; for 1h;

DOI:10.1021/ja026734o

upstream raw materials:

Cyclohexane-d12

d₁₂-cyclohexanol

[D₁₁]-cyclohexanol

cyclohexane

Downstream raw materials:

[2H]10-ε-caprolactone

d24-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylacetamide

C₁₃H₇⁽²⁾H₁₀N

cyclohexanone oxime-D₁₁

Refernces

• 1、 Wang, Weilu,He, Yang,He, Junkai,Dang, Yanliu,Kankanmkapuge, Tharindu,Gao, Wenliang,Cong, Rihong,Suib, Steven L.,Yang, Tao. "Identification of key oxidative intermediates and the function of chromium dopants in PKU-8: catalytic dehydrogenation ofsec-alcohols withtert-butylhydroperoxide". . p. 1365 - 1374. Retrieved 2021/03/14.
• 2、 Tan, Peng,Kwong, Hoi-Ki,Lau, Tai-Chu. "Catalytic oxidation of water and alcohols by a robust iron(III) complex bearing a cross-bridged cyclam ligand". supporting information. p. 12189 - 12192. Retrieved 2015/07/27.