Menadiol disulfate

Base Information

• Chemical Name: Menadiol disulfate
• CAS No.: 29520-22-7
• Molecular Formula: C11H10 O8 S2
• Molecular Weight: 334.328
• European Community (EC) Number: 249-679-7
• UNII: 4TGB4HYC3M
• DSSTox Substance ID: DTXSID30862714
• Nikkaji Number: J28.631A
• Wikidata: Q27260470
• Metabolomics Workbench ID: 45707
• ChEMBL ID: CHEMBL2110971
• Mol file: 29520-22-7.mol

Synonyms:MENADIOL DISULFATE;29520-22-7;UNII-4TGB4HYC3M;4TGB4HYC3M;menadiol sulfate;2-Methyl-1,4-naphthylene bis(hydrogen sulfate);2-Methyl-1,4-naphthylene bis(hydrogen sulphate);EINECS 249-679-7;potassium menaphthosulfate;1,4-Naphthalenediol, 2-methyl-, bis(hydrogen sulfate);NSC-87576;Menadiol disulphate;2-methylnaphthalene-1,4-diyl bis(hydrogen sulfate);Menadiol Sulfuric Acid;Menadiol sodium sulfate, INN;SCHEMBL516199;Menadiol sodium sulphate, INN;CHEMBL2110971;DTXSID30862714;C11H10O8S2;C11-H10-O8-S2;Q27260470;[2-methyl-4-(sulfooxy)naphthalen-1-yl]oxidanesulfonic acid;1,4-NAPHTHALENEDIOL, 2-METHYL-, 1,4-BIS(HYDROGEN SULFATE)

Chemical Property of Menadiol disulfate

Chemical Property:

• PSA: 143.96000
• Density: 1.742g/cm³
• LogP: 3.67300
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 333.98170962
• Heavy Atom Count: 21
• Complexity: 558

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2C(=C1)OS(=O)(=O)O)OS(=O)(=O)O

Technology Process of Menadiol disulfate

There total 2 articles about Menadiol disulfate 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) → 2-methyl-1,4-bis-sulfooxy-naphthalene (29520-22-7)

Guidance literature:

With pyridine; tetrachloromethane; chlorosulphuric acid; Erhitzen auf dem Dampfbad;

DOI:10.1021/ja01858a504

Reference yield:

menadione (58-27-5,34524-96-4) → 2-methyl-1,4-bis-sulfooxy-naphthalene (29520-22-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether; aqueous Na₂S₂O₄

2: pyridine; tetrachloromethane; chlorosulfuric acid / Erhitzen auf dem Dampfbad

With pyridine; tetrachloromethane; sodium dithionite; chlorosulphuric acid; diethyl ether;

upstream raw materials:

2-methyl-1,4-naphthohydroquinone

menadione