Phytonadione, (Z)-

Base Information

Chemical Name:Phytonadione, (Z)-
CAS No.:16033-41-3
Molecular Formula:C₃₁H₄₆O₂
Molecular Weight:450.705
Hs Code.:
UNII:222Q5Y8X26,UW760MCX0Y
DSSTox Substance ID:DTXSID70166864
Nikkaji Number:J1.112.210H
Wikidata:Q27291298
Mol file:16033-41-3.mol

Synonyms:cis-Vitamin K1;Phytonadione, (Z)-;16033-41-3;cis-Phylloquinone;Phylloquinone, cis-;Phylloquinone, (Z)-;Phytomenadione, (Z)-;Phytonadione, (Z)-(+/-)-;UNII-UW760MCX0Y;UW760MCX0Y;2-methyl-3-[(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione;222Q5Y8X26;1,4-Naphthalenedione, 2-methyl-3-((2Z,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl)-;1,4-Naphthalenedione, 2-methyl-3-((2Z,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl)-;1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, (R-(R*,R*-(Z)))-;Cis Phytonadione;2-Methyl-3-((7R,11R,Z)-3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione;1,4-Naphthalenedione, 2-methyl-3-((2Z,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl)-, rel-;79082-95-4;(Z)-phytonadione;starbld0022092;UNII-222Q5Y8X26;HY-N0684A;DTXSID70166864;CS-O-05796;CS-0088952;Vitamin K1 (contains up to 20% cis isomer);Q27291298

Suppliers and Price of Phytonadione, (Z)-

Supply Marketing:

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
cis-VitaminK1
5mg
$ 1295.00

TRC
cis-VitaminK1
2mg
$ 605.00

Chemtos
Cis-VitaminK1(ZPhytonadione)
50 mg
$ 2500.00

Total 10 raw suppliers

Chemical Property of Phytonadione, (Z)-

Chemical Property:

Boiling Point:546.4±50.0 °C(Predicted)
PSA：34.14000
Density:0.963±0.06 g/cm3(Predicted)
LogP:9.15760
Storage Temp.:Amber Vial, -20°C Freezer, Under inert atmosphere
Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
XLogP3:10.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:14
Exact Mass:450.349780706
Heavy Atom Count:33
Complexity:696

Purity/Quality:

98%min ^*data from raw suppliers

cis-VitaminK1 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
Isomeric SMILES:CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C
Uses The cis-isomer of Vitamin K1.

Technology Process of Phytonadione, (Z)-

There total 31 articles about Phytonadione, (Z)- 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: 97.0%

: 16869-68-4
trans-1,4-Dihydro-vitamin K₁⁽²⁰⁾

: 84-80-0,16033-41-3,27696-10-2,79082-95-4,79082-96-5,79082-97-6,79083-00-4,81818-54-4,105017-37-6,132487-93-5,132487-94-6,132487-95-7
vitamin K₁

Guidance literature:: With dihydrogen peroxide; (Bu₃SnO)2CrO₂ on charcoal; In ethanol; at 40 ℃; for 1.5h;
DOI:10.1246/cl.1986.2075

Reference yield: 56.0%

: 84-80-0,16033-41-3,27696-10-2,79082-95-4,79082-96-5,79082-97-6,79083-00-4,81818-54-4,105017-37-6,132487-93-5,132487-94-6,132487-95-7
vitamin K₁

Guidance literature:: With magnesium sulfate; silver(l) oxide; In diethyl ether;

Reference yield:

: 64648-85-7
2-Bromo-3-Methyl-1,1,4,4-tetramethoxy-1,4-dihydronaphthalene

: 943232-38-0
(7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl bromide

: 58-27-5,34524-96-4
menadione

: 84-80-0,16033-41-3,27696-10-2,79082-95-4,79082-96-5,79082-97-6,79083-00-4,81818-54-4,105017-37-6,132487-93-5,132487-94-6,132487-95-7
vitamin K₁

Guidance literature:: With hydrogenchloride; n-butyllithium; copper (I) iodide; dimethylsulfide; water; Yield given. Multistep reaction. Yields of byproduct given;
DOI:10.1021/jo01291a002