Cyclohexanone-3,3,4,4,5,5-d6

Base Information Edit

Chemical Name:Cyclohexanone-3,3,4,4,5,5-d6
CAS No.:54513-99-4
Molecular Formula:C₆H₁₀O
Molecular Weight:104.097
Hs Code.:
DSSTox Substance ID:DTXSID90514641
Wikidata:Q72459738
Mol file:54513-99-4.mol

Synonyms:54513-99-4;Cyclohexanone-3,3,4,4,5,5-d6;3,3,4,4,5,5-hexadeuteriocyclohexan-1-one;Cyclohexanone-d6;SCHEMBL13128721;DTXSID90514641;Cyclohexan-1-one-3,3,4,4,5,5-d6;(3,3,4,4,5,5-?H?)cyclohexan-1-one;(3,3,4,4,5,5-~2~H_6_)Cyclohexanone;D99380;A935351

Suppliers and Price of Cyclohexanone-3,3,4,4,5,5-d6

Supply Marketing:Edit

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

TRC
Cyclohexanone-d6
2.5g
$ 1980.00

TRC
Cyclohexanone-d6
1g
$ 990.00

American Custom Chemicals Corporation
CYCLOHEXANONE-3,3,4,4,5,5-D6 95.00%
5MG
$ 505.85

Total 6 raw suppliers

Chemical Property of Cyclohexanone-3,3,4,4,5,5-d6 Edit

Chemical Property:

PSA：17.07000
LogP:1.51960
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:104.110825414
Heavy Atom Count:7
Complexity:68.2

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexanone-d6 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(=O)CC1
Isomeric SMILES:[2H]C1(CC(=O)CC(C1([2H])[2H])([2H])[2H])[2H]
Uses A labelled intermediate in the synthesis

Technology Process of Cyclohexanone-3,3,4,4,5,5-d6

There total 6 articles about Cyclohexanone-3,3,4,4,5,5-d6 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: 60.0%

: 51209-49-5
perdeuterocyclohexanone

: 54513-99-4
3,3,4,4,5,5-hexadeuterio-cyclohexanone

Guidance literature:: With hydrogenchloride; for 0.5h; Heating;

Reference yield:

: C₁₅H₁₅⁽²⁾H₅O₅S

: 54513-99-4
3,3,4,4,5,5-hexadeuterio-cyclohexanone

Guidance literature:: With hydrogenchloride; NaB(Et)3D; water; Multistep reaction; 1.) THF 2.) THF, rt, 5 h;

Reference yield:

: 4746-97-8
cyclohexanedione monoethylene ketal

: 54513-99-4
3,3,4,4,5,5-hexadeuterio-cyclohexanone

Guidance literature:: Multi-step reaction with 4 steps

1: EtOD, Et₃N / 72 h / Ambient temperature

2: LiAlD₄

3: Pyridine

4: 1.) NaB(Et)3D 2.) H₂O, 2 N HCl / 1.) THF 2.) THF, rt, 5 h

With pyridine; hydrogenchloride; lithium aluminium deuteride; ethyl [2]alcohol; NaB(Et)3D; water; triethylamine;