Bumetrizole

Base Information

• Chemical Name: Bumetrizole
• CAS No.: 3896-11-5
• Deprecated CAS: 103843-16-9,106085-65-8,136567-90-3,144598-90-3,144856-53-1,145379-55-1,155375-84-1,61489-93-8,80479-99-8,85497-36-5,138464-60-5,172344-93-3,474264-62-5,796971-87-4,1399293-71-0,2098648-59-8,2117663-14-4,2135333-73-0,268218-33-3,106085-65-8,136567-90-3,138464-60-5,144598-90-3,144856-53-1,145379-55-1,155375-84-1,172344-93-3,474264-62-5,61489-93-8,796971-87-4,80479-99-8,85497-36-5
• Molecular Formula: C17H18ClN3O
• Molecular Weight: 315.802
• Hs Code.: 29339900
• European Community (EC) Number: 223-445-4
• UNII: 7ZF18Q354W
• DSSTox Substance ID: DTXSID9036438
• Nikkaji Number: J8.273B
• Wikidata: Q27269075
• NCI Thesaurus Code: C74400
• ChEMBL ID: CHEMBL1880325
• Mol file: 3896-11-5.mol

Synonyms:2-(2'-hydroxy-3'-tert-butyl-5'-methylphenyl)-5- chlorobenzotriazole;tinuvin;tinuvin 326;tinuvin-1130

Chemical Property of Bumetrizole

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 4.24E-09mmHg at 25°C
• Melting Point: 144-147 °C(lit.)
• Refractive Index: 1.628
• Boiling Point: 460.4 °C at 760 mmHg
• PKA: 9.31±0.48(Predicted)
• Flash Point: 232.3 °C
• PSA: 50.94000
• Density: 1.26 g/cm³
• LogP: 4.38540
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Water Solubility.: 4μg/L at 20℃
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 315.1138399
• Heavy Atom Count: 22
• Complexity: 400

Purity/Quality:

99% ^*data from raw suppliers

Bumetrizole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-53
• Safety Statements: 26-36-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
• Uses: Bumetrizole is an intermediate reactant in the synthesis of UV light absorbers for polyester fibers. UV-326 can potentially be used as a UV light filter in cosmetics and sunscreens. It may also be used as a corrosion inhibitor for the protection of building materials and automobiles.
• Therapeutic Function: Sunscreen agent

Technology Process of Bumetrizole

There total 15 articles about Bumetrizole 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: 97.8%

C17H18ClN3O2 → 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole (3896-11-5,85497-36-5)

Guidance literature:

In isopropyl alcohol; at 80 - 82 ℃; for 4h;

Reference yield: 97.4%

2-nitro-4-chloro-2'-hydroxy-3'-tert-butyl-5'-methylazobenzene (22617-04-5) → 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole (3896-11-5,85497-36-5)

Guidance literature:

With borane-ammonia complex; In toluene; at 50 ℃; for 5h;

Reference yield: 94.3%

C17H20ClN3O2 → 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2H-5-chlorobenzotriazole (3896-11-5,85497-36-5)

Guidance literature:

With sodium phosphite; hydrogen; sodium hydroxide; at 80 ℃; for 8h; under 11251.1 Torr; Reagent/catalyst; Pressure; Temperature; Autoclave;

upstream raw materials:

2-tert-Butyl-6-(6-chloro-1-oxy-benzotriazol-2-yl)-4-methyl-phenol

2-<(4-Chloro-2-nitrophenyl)azo>-6-(1,1-dimethylethyl)-4-methylphenol

2-tert-Butyl-4-methylphenol

4-Chloro-2-nitroaniline

Downstream raw materials:

2-(2'-Hydroxy-3'-tert-butyl-5'-(bis(2-hydroxyethyl)aminomethyl)phenyl)-5-chlorobenzotriazole

Refernces

• 1、 -. "Method to prepare benzotriazole ultraviolet-absorbing agent via catalytic hydrogen process". . . Retrieved 2018/07/15.
• 2、 -. "Preparation method of benzotriazole light stabilizer". . . Retrieved 2017/01/17.