Vitamin K1 diacetate

Base Information

• Chemical Name: Vitamin K1 diacetate
• CAS No.: 604-87-5
• Molecular Formula: C35H52O4
• Molecular Weight: 536.78
• Nikkaji Number: J95.589B
• Mol file: 604-87-5.mol

Synonyms:Vitamin K1 diacetate;604-87-5;[4-acetyloxy-2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalen-1-yl] acetate;(R-(R*,R*(E)))-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenediol diacetate;1,4-Naphthalenediol, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, diacetate, (R-(R*,R*(E)))-;Dihydrovitamin K-1 diacetate;1,4-Naphthalenediol, 2-methyl-3-phytyl-, diacetate;1,4-Naphthalenediol, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, diacetate

Chemical Property of Vitamin K1 diacetate

Chemical Property:

• Vapor Pressure: 1.55E-14mmHg at 25°C
• Boiling Point: 603.9°C at 760 mmHg
• Flash Point: 289.9°C
• PSA: 52.60000
• Density: 0.994g/cm³
• LogP: 9.92670
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 12.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 536.38656014
• Heavy Atom Count: 39
• Complexity: 756

Purity/Quality:

98%min ^*data from raw suppliers

DihydrovitaminK1Diacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC1=C(C2=CC=CC=C2C(=C1C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(=O)C)OC(=O)C
• Uses: Dihydrovitamin K1 Diacetate is an impurity of Vitamin K1 (V676080), which occurs widely in green plants, algae, photosynthetic bacteria. Vitamin K1 is used in the treatment of vitamin K1 deficiency however may induce anaphylactic shock in too high doses.

Technology Process of Vitamin K1 diacetate

There total 8 articles about Vitamin K1 diacetate 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:

acetic anhydride (108-24-7) → di-O-acetyl-dihydrophylloquinone (604-87-5)

Guidance literature:

With pyridine; acetic acid; zinc;

DOI:10.1002/hlca.19440270137 DOI:10.1021/ja01878a513 DOI:10.1021/ja01878a516

Reference yield:

acetic anhydride (108-24-7) → di-O-acetyl-dihydrophylloquinone (604-87-5)

Guidance literature:

With zinc; unter Lichtausschluss;

DOI:10.1002/hlca.19640470129 DOI:10.1021/ja01875a517 DOI:10.1021/ja01878a516

Reference yield:

acetic anhydride (108-24-7) → Dihydrovitamin K1-diacetat (604-87-5,5016-88-6,52610-74-9)

Guidance literature:

With pyridine; zinc;

DOI:10.1002/hlca.19540370128

upstream raw materials:

1,4-diacetyloxy-2-bromo-3-methylnaphthalene

(7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl bromide

acetic anhydride

phytomenadione

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