Phenol, 2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-

Base Information

• Chemical Name: Phenol, 2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-
• CAS No.: 73936-91-1
• Molecular Formula: C29H35N3O
• Molecular Weight: 441.616
• European Community (EC) Number: 686-647-5
• DSSTox Substance ID: DTXSID4072780
• Nikkaji Number: J819.381I
• Wikidata: Q72515945
• Mol file: 73936-91-1.mol

Synonyms:73936-91-1;2-(2H-BENZOTRIAZOL-2-YL)-6-(1-METHYL-1-PHENYLETHYL)-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOL;Phenol, 2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-;Phenol,2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-;2-(benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2H-Benzo[d][1,2,3]triazol-2-yl)-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;UV absorber-928;Tinuvin 928;SCHEMBL76991;3-(4-Nitrophenoxy)benzoicacid;DTXSID4072780;CGL 120;UZUNCLSDTUBVCN-UHFFFAOYSA-N;BCP14491;MFCD11114451;BS-44120;B5976;CS-0161661;D89177;EC 422-600-5;A837972;2-(2H-Benzotriazole-2-yl)-4-tert-octyl-6-(1-methyl-1-phenylethyl)phenol;2-(1-Methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-6-(benzotriazol-2-yl)phenol;2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl) phenol;Phenol 2-(2H-benzotriazole-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-

Chemical Property of Phenol, 2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-

Chemical Property:

• Appearance/Colour: Slight yellow solid
• Melting Point: 108-110oC
• Boiling Point: 555.5±60.0 °C(Predicted)
• PKA: 8.05±0.50(Predicted)
• PSA: 50.94000
• Density: 1.07 g/cm³
• LogP: 7.16580
• Solubility.: soluble in Toluene
• XLogP3: 9.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 441.278012748
• Heavy Atom Count: 33
• Complexity: 634

Purity/Quality:

98%, ^*data from raw suppliers

2-(2H-Benzo[d][1,2,3]triazol-2-yl)-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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)C(C)(C)C4=CC=CC=C4
• Description: UV absorber-928(C29H35N3O) is a hydroxyphenyl benzotriazole UV absorber specially designed for high performance coating applications. UV absorber-928 provides efficiency to coating and light sensitive substrates due to its characteristic broad band absorption. With excellent solubility and high thermal and environmental performance, UV absorber-928 is particularly suitable for coatings exposed to high temperature curing processes, such as powder and coil coatings, or high environmental stress.
• Uses: UV absorber-928 has broad absorption properties which can effectively protect coating and other photosensitive materials. UV absorber-928 has high solubility, high temperature resistant and good environmental durability and so on. UV absorber-928 is suitable for high performance coatings, especially suitable for powder coating and industrial and automotive coatings. UV absorber-928 can be enhanced when used in combination with a HALS stabilizer such as UV-292 or UV-123.

Technology Process of Phenol, 2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-

There total 7 articles about Phenol, 2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)- 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: 100.0%

C29H37N3O → 2-[2'-hydroxy-3'-(α,α-dimethylbenzyl)-5'-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole (73936-91-1)

Guidance literature:

With ammonium hydroxide; copper(II) sulfate; In ethanol; water; Solvent; Reagent/catalyst; Reflux;

Reference yield: 97.0%

2-cumyl(1,1,3,3-tetramethyl-butyl)-6-(2-nitrophenylazo)-phenol + sodium azide → 2-[2'-hydroxy-3'-(α,α-dimethylbenzyl)-5'-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole (73936-91-1)

Guidance literature:

In N,N-dimethyl acetamide; at 130 ℃; for 4h;

Reference yield: 90.3%

Cyasorb UV 5411 (3147-75-9,52188-76-8) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 2-[2'-hydroxy-3'-(α,α-dimethylbenzyl)-5'-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole (73936-91-1)

Guidance literature:

With methanesulfonic acid; at 175 - 180 ℃; for 6.5h; Temperature; Inert atmosphere;

upstream raw materials:

Cyasorb UV 5411

isopropenylbenzene

1,2-diamino-benzene

2-cumyl-4-(1,1,3,3-tetramethylbutyl)-phenol

Downstream raw materials:

2-[2-Hydroxy-3-(4-chlorosulfonyl-α-cumyl)-5-tert-octylphenyl]-2H-benzotriazole

Refernces

• 1、 -. "Preparation method of ultraviolet absorber Tinuvin 928". Paragraph 0031-0048. . Retrieved 2019/07/29.
• 2、 -. "Substituted hexahydro-1,4-diazepin-5-ones and compositions stabilized therewith". . . Retrieved 2008/06/13.