Coenzyme Q9

Base Information

• Chemical Name: Coenzyme Q9
• CAS No.: 303-97-9
• Molecular Formula: C54H82 O4
• Molecular Weight: 795.243
• Hs Code.: 29146990
• UNII: MGW7TYF2DQ
• ChEMBL ID: CHEMBL2252965
• DSSTox Substance ID: DTXSID601317880
• Metabolomics Workbench ID: 29079
• Nikkaji Number: J1.205.858F,J11.404I
• NSC Number: 226993
• Wikidata: Q27102857
• Mol file: 303-97-9.mol

Synonyms:2,5-cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-((2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl)-;coenzyme Q9;CoQ9;ubiquinone 9;ubiquinone 9, (Z,Z,Z,Z,Z,E,E,E)-isomer;ubiquinone Q-9;ubiquinone-9

Chemical Property of Coenzyme Q9

Chemical Property:

• Melting Point: 41-43oC
• Boiling Point: 826.8±65.0 °C(Predicted)
• Flash Point: 314.4oC
• PSA: 52.60000
• Density: 0.97±0.1 g/cm3(Predicted)
• LogP: 16.12740
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Heated)
• XLogP3: 17.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 28
• Exact Mass: 794.62131109
• Heavy Atom Count: 58
• Complexity: 1680

Purity/Quality:

98%,99%, ^*data from raw suppliers

Coenzyme Q9 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
• Isomeric SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
• Uses: Antibacterial and antioxidant for preventing and treating cancer. This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the Issuing Pharmacopoeia. For further information and support please go to the website of the issuing Pharmacopoeia. Ubidecarenone impurity D may be used as an internal standard for the determination of the ubiquinol-10 in biological samples by high performance chromatography method(HPLC) and liquid chromatography tandem mass spectrometry to evaluate the oxidative stress. Coenzyme Q9 has been used to investigate its interference in the detection of coenzyme Q10 (CoQ10) by fluorescent spectrophotometer (FS-ECA). It has also been used as an analyte in chromatographic analysis of different biological samples that correspond to different genetic conditions.

Technology Process of Coenzyme Q9

There total 24 articles about Coenzyme Q9 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: 90.0%

2-chloromethyl-5,6-dimethoxy-3-methyl-[1,4]benzoquinone (202843-56-9) → ubiquinone-45 (303-97-9)

Guidance literature:

With n-butyllithium; bis(triphenylphosphine)nickel(II) chloride; In tetrahydrofuran; at -20 ℃; for 1.5h;

Reference yield: 90.0%

2,3,4-trimethoxy-6-methyl-5-solanesylphenol (110582-10-0) → ubiquinone-45 (303-97-9)

Guidance literature:

With iron(III) chloride; In ethanol; water; isopropyl alcohol; at 20 ℃; for 2h;

DOI:10.1080/00397910701771066

Reference yield: 89.0%

2-chloromethyl-5,6-dimethoxy-3-methyl-[1,4]benzoquinone (202843-56-9) + (all-E)-2,6,10,14,18,22,26,30,34-nonamethyl-2,6,10,14,18,22,26,30,34-nonacontanonaen-38-yne (400010-22-2) → ubiquinone-45 (303-97-9)

Guidance literature:

(all-E)-2,6,10,14,18,22,26,30,34-nonamethyl-2,6,10,14,18,22,26,30,34-nonacontanonaen-38-yne; With trimethylaluminum; zirconocene dichloride; iso-butylaluminoxane; In dichloromethane; chlorobenzene; at -15 ℃; for 14h;

2-chloromethyl-5,6-dimethoxy-3-methyl-[1,4]benzoquinone; With n-butyllithium; bis(triphenylphosphine)nickel(II) chloride; In tetrahydrofuran; at -20 ℃; for 2h; Product distribution / selectivity;

upstream raw materials:

solanesol

2,3-dimethoxy-5-methylbenzene-1,4-diol

isosolanesol

2,3-Dimethoxy-5-methyl-1,4-benzoquinone

Downstream raw materials:

ubiquinone-9

2,3-dimethoxy-5-methyl-6-(34-bromo-35-hydroxy-3,7,11,15,19,23,27,31,35-nonamethylhexatriacont-2E,6E,10E,14E,18E,22E,26E,30E-octaenyl)-1,4-benzoquinone

2-((2E,6E,10E,14E,18E,22E,26E,30E)-34-Chloro-3,7,11,15,19,23,27,31,35-nonamethyl-hexatriaconta-2,6,10,14,18,22,26,30,35-nonaenyl)-5,6-dimethoxy-3-methyl-[1,4]benzoquinone

1,4-dibenzyloxy-2,3-dimethoxy-5-methyl-6-(3',7',11',15',19',23',27',31',35'-nonamethylhexatriaconta-2'E,6'E,10'E,14'E,18'E,22'E,26'E,30'E,34'-nonaenyl)benzene

Refernces

• 1、 Tuvin, M. Yu.,Novodarova, G. N.,Vol'pin, M. E.,Orlov, S. B.,Bogdanovskaya, V. A.,Tarasevich, M. R.. "COBALT COMPLEXES-HYDROPHOBIC DERIVATIVES OF VITAMIN B12 IN CATALYSIS AND ELECTROCATALYSIS". . p. 645 - 650. Retrieved 1988.
• 2、 Toyoda,M. et al.. "-". . p. 3837 - 3840. Retrieved 1968.
• 3、 -. "OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS". Page/Page column 47. . Retrieved 2008/06/13.
• 4、 Bovicelli, Paolo. "Radical-scavenging polyphenols: New strategies for their synthesis". . p. 1703 - 1710. Retrieved 2008/03/11.