2',3'-Dihydro-phytomenadione

Base Information

• Chemical Name: 2',3'-Dihydro-phytomenadione
• CAS No.: 64236-23-3
• Molecular Formula: C₃₁H₄₈O₂
• Molecular Weight: 452.721
• DSSTox Substance ID: DTXSID10982782
• Metabolomics Workbench ID: 46705
• ChEMBL ID: CHEMBL2068846
• Mol file: 64236-23-3.mol

Synonyms:2',3'-dihydrophylloquinone;dihydrophylloquinone;hydrophylloquinone

Chemical Property of 2',3'-Dihydro-phytomenadione

Chemical Property:

• Vapor Pressure: 6.94E-12mmHg at 25°C
• Boiling Point: 543.8°C at 760 mmHg
• Flash Point: 199.6°C
• PSA: 34.14000
• Density: 0.953g/cm³
• LogP: 9.23750
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 10.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 452.365430770
• Heavy Atom Count: 33
• Complexity: 643

Purity/Quality:

98.5% ^*data from raw suppliers

β,γ-DihydroVitaminK1 ^*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)CCC(C)CCCC(C)CCCC(C)CCCC(C)C
• Uses: Vitamin K1 derivative; a compound formed during hydrogenation of oils containing Vitamin K1.

Technology Process of 2',3'-Dihydro-phytomenadione

There total 8 articles about 2',3'-Dihydro-phytomenadione 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:

2-methyl-3-(1',2'-dihydrophytyl)-1,4-dimethoxynaphthalene (127184-25-2) → 2-methyl-3-(1',2'-dihydrophytyl)-1,4-naphthoquinone (64236-23-3)

Guidance literature:

With silver(II) oxide; nitric acid; In 1,4-dioxane; at 10 ℃; for 0.0333333h;

DOI:10.1021/jm00168a038

Reference yield:

2-bromo-3-methyl-1,4-dimethoxynaphthalene (53772-33-1) → 2-methyl-3-(1',2'-dihydrophytyl)-1,4-naphthoquinone (64236-23-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) n-BuLi / 1.) ether, 8 min, 2.) 30 min

2: 44 percent / H₂ / 10percent Pd/C / ethyl acetate / 20 h

3: AgO, HNO₃ / dioxane / 0.03 h / 10 °C

With silver(II) oxide; n-butyllithium; hydrogen; nitric acid; palladium on activated charcoal; In 1,4-dioxane; ethyl acetate;

DOI:10.1021/jm00168a038

Reference yield:

3,7,11,15-tetramethyl-hexadec-2-en-1-al (220904-29-0) → 2-methyl-3-(1',2'-dihydrophytyl)-1,4-naphthoquinone (64236-23-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) n-BuLi / 1.) ether, 8 min, 2.) 30 min

2: 44 percent / H₂ / 10percent Pd/C / ethyl acetate / 20 h

3: AgO, HNO₃ / dioxane / 0.03 h / 10 °C

With silver(II) oxide; n-butyllithium; hydrogen; nitric acid; palladium on activated charcoal; In 1,4-dioxane; ethyl acetate;

DOI:10.1021/jm00168a038

upstream raw materials:

2-methyl-3-(1',2'-dihydrophytyl)-1,4-dimethoxynaphthalene

2-bromo-3-methyl-1,4-dimethoxynaphthalene

3,7,11,15-tetramethyl-hexadec-2-en-1-al

2-methyl-3-(1'-hydroxyphytyl)-1,4-dimethoxynaphthalene

Refernces