Menadiol diphosphate

Base Information

• Chemical Name: Menadiol diphosphate
• CAS No.: 84-98-0
• Molecular Formula: C₁₁H₁₂O₈P₂
• Molecular Weight: 334.159
• UNII: GRL65FEU3T
• DSSTox Substance ID: DTXSID10861785
• Nikkaji Number: J4.906I
• Wikipedia: Kappadione
• Wikidata: Q27279243
• NCI Thesaurus Code: C80887
• Metabolomics Workbench ID: 45706
• ChEMBL ID: CHEMBL1201348
• Mol file: 84-98-0.mol

Synonyms:2-methyl-1,4-naphthohydroquinone;2-methyl-1,4-naphthoquinol;dihydrovitamin K3;menadiol;menadiol diphosphate;menadiol diphosphate ion;menadiol diphosphate, monosodium salt;menadiol diphosphate, tetrasodium salt;menadiol, (-1)-ion;menadiol, monopotassium salt;naphtadon;reduced menadione;Synkavit;Synkavite

Chemical Property of Menadiol diphosphate

Chemical Property:

• Vapor Pressure: 4.6E-18mmHg at 25°C
• Melting Point: 212 °C
• Refractive Index: 1.678
• Boiling Point: 655.3°C at 760 mmHg
• Flash Point: 350.1°C
• PSA: 153.14000
• Density: 1.73g/cm³
• LogP: 2.09120
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 334.00074133
• Heavy Atom Count: 21
• Complexity: 457

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2C(=C1)OP(=O)(O)O)OP(=O)(O)O
• Recent EU Clinical Trials: To investigate the effect of vitamin K supplementation on markers of bone turnover and bone density in adolescents and adults with cystic fibrosis

Technology Process of Menadiol diphosphate

There total 4 articles about Menadiol diphosphate 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-1,4-naphthohydroquinone (481-85-6) → 1,4-Bis-phosphonooxy-2-methyl-naphthalin (84-98-0)

Guidance literature:

With pyridine; trichlorophosphate; anfangs unter Kuehlung, und anschliessendes Behandeln mit Wasser unter Kuehlung;

DOI:10.1021/ja01858a504

Reference yield:

1,4-bis-dichlorophosphoryloxy-2-methyl-naphthalene → 1,4-Bis-phosphonooxy-2-methyl-naphthalin (84-98-0)

Guidance literature:

With water; unter Kuehlung;

Reference yield:

dibenzyl phosphochloridate (538-37-4) → 1,4-Bis-phosphonooxy-2-methyl-naphthalin (84-98-0)

Guidance literature:

With tetrachloromethane; Hydrieren des Reaktionsprodukts an Palladium/Kohle in Aethanol;

upstream raw materials:

2-methyl-1,4-naphthohydroquinone

6-iodo-2-methyl-1,4-bis-phosphonooxy-naphthalene

dibenzyl phosphochloridate