2-(2H-Benzotriazol-2-yl)-4,6-ditertpentylphenol supplier

Name
2-(2H-Benzotriazol-2-yl)-4,6-ditertpentylphenol
EINECS 247-384-8
CAS No. 25973-55-1
Article Data35
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point 80-83 °C
Formula C₂₂H₂₉N₃O
Boiling Point 469.1 °C at 760 mmHg
Molecular Weight 351.492
Flash Point 237.5 °C
Transport Information
Appearance Slightly yellowish powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Phenol,2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentyl- (7CI,8CI);2-(2-Hydroxy-3,5-di-tert-amylphenyl)-2H-benzotriazole;2-(2H-Benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol;2-(2'-Hydroxy-3',5'-di-tert-amylphenyl)benzotriazole;2-(3,5-Di-tert-amyl-2-hydroxyphenyl)benzotriazole;Chisorb 328;Cyasorb UV 2337;Kemisorb 74;Seesorb704;Tin 328;
PSA 50.94000
LogP 5.50130

Synthetic route

aqueous hypophosphorous acid: aqueous hypophosphorous acid

: 2-Nitro-2'-hydroxy-3',5'-di-tert-pentyl-azobenzene

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen; tert-butylamine In methanol	99%

: C22H29N3O2

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
In isopropyl alcohol at 83 - 85℃; for 3h; Temperature;	98.29%

: 2,4-bis(1",1"-dimethylpropyl)-6-(2'-nitrophenylazo)phenol

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
With borane-ammonia complex In toluene at 50℃; for 5h;	96.4%
With sodium hydroxide; thiourea dioxide In ethanol at 85 - 90℃; for 1h;	80%
With sodium hydroxide; lithium perchlorate In tetrahydrofuran; water at 20℃; Cyclization; Electrolysis;	92 % Chromat.
With hydrogen In cyclohexane at 180℃; under 3750.38 Torr;
Multi-step reaction with 2 steps 1: 2,3-Dichloro-1,4-naphthoquinone; sodium hydroxide / isopropyl alcohol / 2 h / 42 - 45 °C / Inert atmosphere 2: isopropyl alcohol / 3 h / 83 - 85 °C View Scheme

: sodium azide

: 2,4-bis(1",1"-dimethylpropyl)-6-(2'-nitrophenylazo)phenol

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
In DMF (N,N-dimethyl-formamide) at 130℃; for 13h;	93.9%

: 2-(2'-hydroxy-3',5'-di-t-pentylphenyl)benzotriazole oxynitride

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
With platinum on activated charcoal; hydrogen In methanol; toluene at 50 - 75℃; under 3750.38 - 6000.6 Torr; Reagent/catalyst; Solvent; Autoclave;	91.7%
With hydrogenchloride; zinc In water; toluene Reflux;

: 94109-79-2
2-(2'H-benzotriazol-2'-yl)-4,6-bis(1",1"-dimethylpropyl)phenol 1'-oxide

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
aluminum nickel In water; hydrogen	90.3%
With sodium hydroxide; bakers' yeast In ethanol 1.) r.t., 30 min, 2.) 80-85 deg C, 30 h;	86%

: 2-Nitro-2'-hydroxy-3',5'-di-tert-pentyl-azobenzene

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
With sodium hydroxide; zinc In water at 90℃; for 0.5h;	87%
	85%
aluminum nickel In water; toluene	82%
With samarium diiodide In tetrahydrofuran for 2.7h; Ambient temperature;	85 % Spectr.
With hydrogenchloride; sulfuric acid; hydrogen; hydrazine hydrate; N-butylamine; pyrographite In methanol; 5,5-dimethyl-1,3-cyclohexadiene; water

: 2,4-Bis-(1,1-dimethyl-propyl)-6-(2-nitro-phenylazo)-phenol

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
With sodium hydroxide; bakers' yeast In ethanol 1.) r.t., 30 min, 2.) 80-85 deg C, 36 h;	85%
With sodium hydroxide In isopropyl alcohol at 85℃; for 24h; Reduction; Cyclization; Irradiation;	67%
Multi-step reaction with 2 steps 1: 87 percent / aq. NaOH, bakers' yeast / ethanol / 1.) r.t., 30 min, 2.) 80-85 deg C, 3.5 h 2: 86 percent / aq. NaOH, bakers' yeast / ethanol / 1.) r.t., 30 min, 2.) 80-85 deg C, 30 h View Scheme

: 2,4-bis(1",1"-dimethylpropyl)-6-(2'-nitrophenylazo)phenol

A: 23786-32-5
2-amino-4,6-bis(1,1-dimethylpropyl)phenol

B: 95-54-5
1,2-diamino-benzene

C: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
With 2-bromo-2-nitropropane; zinc In methanol; dichloromethane for 3.5h; Ambient temperature;	A n/a B n/a C 71 % Chromat.

...Expand

: 117-80-6
2,3-Dichloro-1,4-naphthoquinone

: 2-Nitro-2'-hydroxy-3',5'-di-tert-pentyl-azobenzene

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
With sodium hydroxide; sodium hydrogensulfite In water; isopropyl alcohol

: 486-25-9
9-fluorenone

: 50-99-7
D-glucose

: 2-Nitro-2'-hydroxy-3',5'-di-tert-pentyl-azobenzene

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water

...Expand

: 88-73-3
2-Chloronitrobenzene

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: ammonium hydroxide / 150 - 220 °C / 90009 - 150015 Torr 2: sodium nitrite; hydrogenchloride / water / 1 h / 10 °C 3: water; ethanol / 3 h / 10 °C / pH 7.2 - 7.8 / Alkaline conditions 4: sodium hydroxide; formaldehyd / isopropyl alcohol / Reflux 5: zinc; hydrogenchloride / water; toluene / Reflux View Scheme

: 88-74-4
2-nitro-aniline

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sodium nitrite; hydrogenchloride / water / 1 h / 10 °C 2: water; ethanol / 3 h / 10 °C / pH 7.2 - 7.8 / Alkaline conditions 3: sodium hydroxide; formaldehyd / isopropyl alcohol / Reflux 4: zinc; hydrogenchloride / water; toluene / Reflux View Scheme

: 2-nitrodiazophenyl hydrochloride

: 25973-55-1
tinuvin 328

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: water; ethanol / 3 h / 10 °C / pH 7.2 - 7.8 / Alkaline conditions 2: sodium hydroxide; formaldehyd / isopropyl alcohol / Reflux 3: zinc; hydrogenchloride / water; toluene / Reflux View Scheme

: cyclopentadienylzirconium trichloride

: 25973-55-1
tinuvin 328

: [(η5-cyclopentadineyl)ZrCl2(tetrahydrofuran)(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol(-1H))]

Conditions

Conditions	Yield
In tetrahydrofuran (N2); using Schlenk techniques; addn. of CpZrCl3 (1 equiv.) to soln. of 2-(2H-benzo(d)(1,2,3)triazol-2-yl)-4,6-di-tert-pentylphenol (1 equiv.) in THF at room temp., heating at 50°C for 12 h; filtration, condensing of filtrate, keeping at -20°C, crystn.; elem. anal.;	95%

: 3375-31-3
palladium diacetate

: 25973-55-1
tinuvin 328

: bis[2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenolato]palladium(II)

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 48h;	92.4%

: cyclopentadienylzirconium trichloride

: 25973-55-1
tinuvin 328

: [(η5-cyclopentadienyl)2Zr(μ-Cl)3(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol(-1H))ZrCl2]

Conditions

Conditions	Yield
In toluene (N2); using Schlenk techniques; addn. of CpZrCl3 (2 equiv.) to soln. of 2-(2H-benzo(d)(1,2,3)triazol-2-yl)-4,6-di-tert-pentylphenol (1 equiv.) in toluene at room temp., heating at 50°C for 12 h; filtration, crystn. at -20°C, washing with n-hexane; elem. anal.;	86%

: 75-24-1
trimethylaluminum

: 25973-55-1
tinuvin 328

: 108-95-2
phenol

: [Al(OPh)(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol(-1H))2]

Conditions

Conditions	Yield
In toluene (N2); using Schlenk techniques; addn. of soln. of HOC6H2(C5H11)2C6H4N3 in toluene to stirred soln. of AlMe3 in toluene at -78°C; warming to room temp.; reflux for 1 h; removal of solvent (vac.); dissolving in MePh; addn. of phenol; reflux for 1 h; removal of all volatiles under vac., washing with n-hexane 3 times; dissolving in CH2Cl2/hexane; cooling at -20°C for a few ds; crystn.; elem. anal.;	85%

Yield

In toluene (N2); using Schlenk techniques; addn. of soln. of HOC6H2(C5H11)2C6H4N3 in toluene to stirred soln. of AlMe3 in toluene at -78°C; warming to room temp.; reflux for 1 h; removal of solvent (vac.); dissolving in MePh; addn. of phenol; reflux for 1 h; removal of all volatiles under vac., washing with n-hexane 3 times; dissolving in CH2Cl2/hexane; cooling at -20°C for a few ds; crystn.; elem. anal.;

85%

...Expand

: 109-99-9
tetrahydrofuran

: 7550-45-0
titanium tetrachloride

: 25973-55-1
tinuvin 328

: C26H36Cl3N3O2Ti

Conditions

Conditions	Yield
In dichloromethane at -78 - 20℃; for 12h; Glovebox; Schlenk technique; Inert atmosphere;	85%

...Expand

: cyclopentadienylzirconium trichloride

: 25973-55-1
tinuvin 328

: 1283647-02-8
[(η5-cyclopentadienyl)ZrCl2(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol(-1H))]2

Conditions

Conditions	Yield
In toluene (N2); using Schlenk techniques; addn. of CpZrCl3 (1 equiv.) to soln. of 2-(2H-benzo(d)(1,2,3)triazol-2-yl)-4,6-di-tert-pentylphenol (1 equiv.) in toluene at room temp., heating at 50°C for 12 h; filtration, crystn. at -20°C, washing with n-hexane; elem. anal.;	84%

: 7550-45-0
titanium tetrachloride

: 25973-55-1
tinuvin 328

: C44H56Cl6N6O2Ti2

Conditions

Conditions	Yield
In dichloromethane at -78 - 20℃; for 12h; Glovebox; Schlenk technique; Inert atmosphere;	83%

: 6046-93-1
copper(II) acetate monohydrate

: 25973-55-1
tinuvin 328

: bis[2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenolato]copper(II)

Conditions

Conditions	Yield
In ethanol for 1h; Reflux;	83%

: tetrakis(dimethylamido)titanium(IV)

: 25973-55-1
tinuvin 328

: C48H68N8O2Ti

Conditions

Conditions	Yield
In dichloromethane at 20 - 50℃; for 12h; Schlenk technique; Glovebox; Inert atmosphere;	81%

: 10026-12-7
niobium pentachloride

: 25973-55-1
tinuvin 328

: C22H28Cl4N3NbO

Conditions

Conditions	Yield
Stage #1: niobium pentachloride; tinuvin 328 In toluene at 0℃; Inert atmosphere; Schlenk technique; Glovebox; Stage #2: In toluene at 20℃; for 12h; Inert atmosphere; Schlenk technique; Glovebox;	81%

: 92-69-3
4-Phenylphenol

: 75-24-1
trimethylaluminum

: 25973-55-1
tinuvin 328

: 1206697-22-4
[Al(O(p-C6H4Ph))(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol(-1H))2]

Conditions

Conditions	Yield
In toluene (N2); using Schlenk techniques; addn. of soln. of HOC6H2(C5H11)2C6H4N3 in MePh to stirred soln. of AlMe3 in MePh at -78°C; warming to room temp.; reflux for 1 h; removal of solvent (vac.); dissolving in MePh; addn. of 4-Ph-phenol; reflux for 1 h; removal of all volatiles under vac., washing with n-hexane 3 times; dissolving in CH2Cl2/hexane; cooling at -20°C for a few ds; crystn.; elem. anal.;	80%

Yield

In toluene (N2); using Schlenk techniques; addn. of soln. of HOC6H2(C5H11)2C6H4N3 in MePh to stirred soln. of AlMe3 in MePh at -78°C; warming to room temp.; reflux for 1 h; removal of solvent (vac.); dissolving in MePh; addn. of 4-Ph-phenol; reflux for 1 h; removal of all volatiles under vac., washing with n-hexane 3 times; dissolving in CH2Cl2/hexane; cooling at -20°C for a few ds; crystn.; elem. anal.;

80%

...Expand

: 546-68-9
titanium(IV) isopropylate

: 25973-55-1
tinuvin 328

: C50H70N6O4Ti

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 12h; Schlenk technique; Glovebox; Inert atmosphere;	80%

: 7721-01-9
tantalum pentachloride

: 25973-55-1
tinuvin 328

: C22H28Cl4N3OTa

Conditions

Conditions	Yield
Stage #1: tantalum pentachloride; tinuvin 328 In toluene at 0℃; Inert atmosphere; Schlenk technique; Glovebox; Stage #2: In toluene at 20℃; for 12h; Inert atmosphere; Schlenk technique; Glovebox;	80%

: 25973-55-1
tinuvin 328

: 10096-91-0
2-(2-Hydroxyphenyl)-2H-benzotriazole

Conditions

Conditions	Yield
With aluminium trichloride; nitromethane In toluene for 7h; Heating;	79%

: 14717-56-7
zirconium(IV) tetraisopropoxide 2-propanol

: 25973-55-1
tinuvin 328

: 1491152-52-3
C62H98N6O8Zr2

Conditions

Conditions	Yield
In toluene at -24℃; Schlenk technique; Inert atmosphere;	79%

: 14717-56-7
zirconium(IV) tetraisopropoxide 2-propanol

: 25973-55-1
tinuvin 328

: C88H112N12O4Zr

Conditions

Conditions	Yield
In toluene at 70℃; for 36h; Schlenk technique; Inert atmosphere;	76%

: 19756-04-8
tetrakis(dimethylamido)zirconium (IV)

: 75-77-4
chloro-trimethyl-silane

: 25973-55-1
tinuvin 328

: [Zr(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol(-1H))2Cl2]

Conditions

Conditions	Yield
In dichloromethane (N2); using Schlenk techniques; addn. of Zr(NMe2)4 (0.5 equiv.) to soln.of C6H4N3C6H2(t-Bu)2OH (1 equiv.) in CH2Cl2 at room temp., heating at 5 0°C for 12 h, filtration, addn. to TMSCl in CH2Cl2 at room temp.,stirring at room temp. for 5 h; removal of solvent under vac., redissolving in CH2Cl2, filtration, condensing, addn. of hexane, crystn. at -20°C, washing with n-hexane; elem. anal.;	75%
In toluene (N2); using Schlenk techniques; tretament of Zr(NMe2)4 (0.5 equiv.) withC6H4N3C6H2(t-Bu)2OH (1 equiv.) in toluene and then addn. of TMSCl in to luene;

Yield

In dichloromethane (N2); using Schlenk techniques; addn. of Zr(NMe2)4 (0.5 equiv.) to soln.of C6H4N3C6H2(t-Bu)2OH (1 equiv.) in CH2Cl2 at room temp., heating at 5 0°C for 12 h, filtration, addn. to TMSCl in CH2Cl2 at room temp.,stirring at room temp. for 5 h; removal of solvent under vac., redissolving in CH2Cl2, filtration, condensing, addn. of hexane, crystn. at -20°C, washing with n-hexane; elem. anal.;

75%

In toluene (N2); using Schlenk techniques; tretament of Zr(NMe2)4 (0.5 equiv.) withC6H4N3C6H2(t-Bu)2OH (1 equiv.) in toluene and then addn. of TMSCl in to luene;

...Expand

: 6046-93-1
copper(II) acetate monohydrate

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 25973-55-1
tinuvin 328

: C44H56CuN6O2*0.5C3H7NO

Conditions

Conditions	Yield
at 70℃; for 1h;	75%

...Expand

: hafnium(IV) tert-butoxide

: 25973-55-1
tinuvin 328

: C88H112HfN12O4

Conditions

Conditions	Yield
In toluene at 70℃; for 24h; Schlenk technique; Inert atmosphere;	71%

: 127-19-5
N,N-dimethyl acetamide

: 6046-93-1
copper(II) acetate monohydrate

: 25973-55-1
tinuvin 328

: C44H56CuN6O2*0.5C4H9NO

Conditions

Conditions	Yield
at 70℃; for 1h;	35%

...Expand

: 34946-82-2
copper(II) bis(trifluoromethanesulfonate)

: 25973-55-1
tinuvin 328

: bis[2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenolato]copper(II)

Conditions

Conditions	Yield
Stage #1: tinuvin 328 With triethylamine In toluene; acetonitrile at 20℃; for 0.166667h; Stage #2: copper(II) bis(trifluoromethanesulfonate) In toluene; acetonitrile at 20℃;	23%

2-(2H-Benzotriazol-2-yl)-4,6-ditertpentylphenol Chemical Properties

Molecular Structure:

Molecular formula: C₂₂H₂₉N₃O
Molecular Weight: 351.49
IUPAC Name: 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol
Synonyms of Phenol,2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)- (CAS NO.25973-55-1): 2-(2H-Benzotriazol-2-yl)-4,6-di-tert-pentylphenol ; CCRIS 8267 ; EINECS 247-384-8 ; 2-(2H-Benzotriazol-2-yl)-4,6-ditertpentylphenol ; Phenol, 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentyl- ; UV-328
CAS NO: 25973-55-1
Classification Code: Industrial/Fine Chemicals ; Polymer Additives ; Polymer Science ; Stabilizers
Melting point: 80-83^°C
Index of Refraction: 1.575
Molar Refractivity: 107.16 cm³
Molar Volume: 324.1 cm³
Surface Tension: 37.7 dyne/cm
Density: 1.08 g/cm³
Flash Point: 237.5 °C
Enthalpy of Vaporization: 75.94 kJ/mol
Boiling Point: 469.1 °C at 760 mmHg
Vapour Pressure: 2.01E-09 mmHg at 25°C
Canonical SMILES: CCC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)CC
InChI: InChI=1S/C22H29N3O/c1-7-21(3,4)15-13-16(22(5,
6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25/h9-14,26H,7-8H2,
1-6H3
InChIKey: ZMWRRFHBXARRRT-UHFFFAOYSA-N

2-(2H-Benzotriazol-2-yl)-4,6-ditertpentylphenol Safety Profile

Hazard Codes of Phenol,2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)- (CAS NO.25973-55-1): Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.

Product Name

2-(2H-Benzotriazol-2-yl)-4,6-ditertpentylphenol

Synthetic route

2-(2H-Benzotriazol-2-yl)-4,6-ditertpentylphenol Chemical Properties

2-(2H-Benzotriazol-2-yl)-4,6-ditertpentylphenol Safety Profile

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