CAS No.73936-91-1,2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	73936-91-1
Name:	2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol
Article Data:	7

Formula:	C₂₉H₃₅N₃O
Molecular Weight:	441.616
Synonyms:	2-(1-Methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-6-(benzotriazol-2-yl)phenol;2-(2-Hydroxy-3-a-cumyl-5-tert-octylphenyl)-2H-benzotriazole;2-[2-Hydroxy-3-(a,a-dimethylbenzyl)-5-tert-octylphenyl]-2H-benzotriazole;2-[2'-Hydroxy-3'-(a,a-dimethylbenzyl)-5'-(1,1,3,3-tetramethylbutyl)phenyl]benzotriazole;2-[3-(a,a-Dimethylbenzyl)-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]-2H-benzotriazole;Chisorb 5228;Tinuvin 928;
EINECS:	231-545-4
Density:	1.07 g/cm³
Melting Point:	108-110oC
Boiling Point:	555.5±60.0 °C(Predicted)
Appearance:	Slight yellow solid
PSA:	50.94000
LogP:	7.16580

Synthetic route

Conditions

Conditions	Yield
With ammonium hydroxide; copper(II) sulfate In ethanol; water Solvent; Reagent/catalyst; Reflux;	100%

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

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 130℃; for 4h;	97%

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Specification

The IUPAC name of UV absorber-928 is 2-(Benzotriazol-2-yl)-6-(2-phenylpropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol. With the CAS registry number 73936-91-1, it is also named as 2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol. Its classification code is TSCA Flag P. In addition, the product is slight yellow solid. Besides, its molecular formula is C₂₉H₃₅N₃O and its molecular weight is 441.61.

The other characteristics of UV absorber-928 can be summarized as: (1)XLogP3-AA: 9.2; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 6; (5)Tautomer Count: 3; (6)Exact Mass: 441.278013; (7)MonoIsotopic Mass: 441.278013; (8)Topological Polar Surface Area: 50.9; (9)Heavy Atom Count: 33; (10)Complexity: 634; (11)Density: 1.07 g/cm³.

People can use the following data to convert to the molecule structure.
1. Smiles:n1(c2c(c(C(c3ccccc3)(C)C)cc(c2)C(CC(C)(C)C)(C)C)O)nc2ccccc2n1
2. InChI:InChI=1/C29H35N3O/c1-27(2,3)19-28(4,5)21-17-22(29(6,7)20-13-9-8-10-14-20)26(33)25(18-21)32-30-23-15-11-12-16-24(23)31-32/h8-18,33H,19H2,1-7H3