Bisoctrizole

Base Information

• Chemical Name: Bisoctrizole
• CAS No.: 103597-45-1
• Deprecated CAS: 1202656-45-8,126269-45-2,165670-11-1,184484-30-8,192209-76-0,215809-89-5,737758-68-8,2192337-11-2,126269-45-2,165670-11-1,184484-30-8,192209-76-0,215809-89-5
• Molecular Formula: C41H50N6O2
• Molecular Weight: 658.887
• Hs Code.: 29339900
• European Community (EC) Number: 403-800-1,600-456-6
• NSC Number: 759873
• UNII: 8NT850T0YS
• DSSTox Substance ID: DTXSID2046703
• Nikkaji Number: J94.801B
• Wikipedia: Bisoctrizole
• Wikidata: Q4918369
• NCI Thesaurus Code: C65266
• Metabolomics Workbench ID: 152528
• ChEMBL ID: CHEMBL2104957
• Mol file: 103597-45-1.mol

Synonyms:methylene bis-benzotriazolyl tetramethylphenol;Tinosorb M

Chemical Property of Bisoctrizole

Chemical Property:

• Vapor Pressure: 1.13E-24mmHg at 25°C
• Melting Point: 197-199 °C(lit.)
• Refractive Index: 1.615
• Boiling Point: 771.6 °C at 760 mmHg
• PKA: 7.62±0.50(Predicted)
• Flash Point: 420.5 °C
• PSA: 101.88000
• Density: 1.16 g/cm³
• LogP: 9.58400
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: almost transparency in THF
• Water Solubility.: Insoluble < 5 ng/L at 25 °C
• XLogP3: 12.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 658.39952486
• Heavy Atom Count: 49
• Complexity: 989

Purity/Quality:

99% ^*data from raw suppliers

Bisoctrizole ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38-53
• Safety Statements: 26-36/37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC4=C(C(=CC(=C4)C(C)(C)CC(C)(C)C)N5N=C6C=CC=CC6=N5)O
• Recent ClinicalTrials: Evaluation of the Protection Activity of Microfine Titanium Dioxide (Ti02), Pigmentary Ti02 and Bisoctrizole and Their Combinations in Voluntary Patients With Idiopathic Solar Urticaria (SU)
• Uses: Bisoctrizole is a light stabilizer in polymers and resins. It is majorly used as a UV filter in sunscreens and in photo-luminescent dyes for organic electronic based applications.

Technology Process of Bisoctrizole

There total 5 articles about Bisoctrizole 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: 96.3%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Cyasorb UV 5411 (3147-75-9,52188-76-8) → methylene bis-benzotriazolyl tetramethylbutylphenol (103597-45-1)

Guidance literature:

formaldehyd; Cyasorb UV 5411; With diethylamine; In 1,3,5-trimethyl-benzene; at 130 ℃; for 4h;

With sodium methylate; In 1,3,5-trimethyl-benzene; at 160 ℃; for 5h; Temperature; Solvent; Reagent/catalyst;

Reference yield: 92.0%

p-formaldehyde + Cyasorb UV 5411 (3147-75-9,52188-76-8) → methylene bis-benzotriazolyl tetramethylbutylphenol (103597-45-1)

Guidance literature:

p-formaldehyde; Cyasorb UV 5411; With diethylamine; In xylene; at 95 - 100 ℃; for 24h;

With sodium methylate; In methanol; at 145 - 150 ℃; for 10h;

Reference yield: 90.0%

→ methylene bis-benzotriazolyl tetramethylbutylphenol (103597-45-1)

Guidance literature:

upstream raw materials:

Cyasorb UV 5411

formaldehyd

bis-(dipropylamino)methane

Refernces

• 1、 -. "Solvent-free synthesis of 2,2'-methylene-bis[4-tert-octyl-6-(2H-benzotriazolyl-2)]phenol". Paragraph 0033; 0034; 0035; 0036; 0037-0049; 0052; 0053. . Retrieved 2017/08/29.
• 2、 -. "COSMETIC TREATMENT METHOD USING A COMPOUND THAT CAN BE CONDENSED IN SITU AND A UV-RADIATION-FILTERING AGENT". . . Retrieved 2013/02/28.