2-(tert-Butyl)-4-methyl-6-(5-(p-tolylthio)-2H-benzo[d][1,2,3]triazol-2-yl)phenol CAS#: 1877301-52-4; ChemWhat Code: 1499437
Identification
| Product Name | 2-(tert-Butyl)-4-methyl-6-(5-(p-tolylthio)-2H-benzo[d][1,2,3]triazol-2-yl)phenol |
| IUPAC Name | |
| Molecular Structure | ![Structure of 2-(tert-Butyl)-4-methyl-6-(5-(p-tolylthio)-2H-benzo[d][1,2,3]triazol-2-yl)phenol CAS# 1877301-52-4](https://www.chemwhat.com/wp-content/uploads/2026/06/Structure-of-2-tert-Butyl-4-methyl-6-5-p-tolylthio-2H-benzod123triazol-2-ylphenol-CAS-1877301-52-4.jpg) |
| CAS Registry Number | 1877301-52-4 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| Synonyms | 5-(4-methyl-phenylthio)-2-(2-hydroxy-3-tert-butyl-5-methylphenyl)-2H-benzotriazole |
| Molecular Formula | C24H25N3OS |
| Molecular Weight | 403.548 |
| InChI | InChI=1S/C24H23N3OS/c1-16-7-9-17(10-8-16)29-21-12-11-20-22(13-21)27-25-26(20)23-14-18(2)15-19(24(3,4)28)6-5-23/h5-15,28H,1-4H3 |
| InChI Key | PAKNCPQVDCBQJQ-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC(C(C)(C)O)=C(C=C1)n2nnc3cc(SC4=CC=C(C)C=C4)ccc23 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2018/134872 | PLASTIC LENS | 2018 |
| US2017/217937 | ADDITIVE FOR IMPARTING ULTRAVIOLET ABSORBENCY AND/OR HIGH REFRACTIVE INDEX TO MATRIX, AND RESIN MEMBER USING SAME | 2017 |
Physical Data
| Appearance | Light yellow crystalline powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C |
| 140 – 142 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz | Original Text (NMR Spectroscopy) |
| Chemical shifts | 1H | chloroform-d1 | 400 | 1H-NMR (CDCl3400 MHz): δ1.48 (s, 9H, -Ph-OH—CH3—C(CH3)3), 2.37 (s, 3H, -Ph-OH—CH3—C(CH3)3), 2.40 (s, 3H, CH3-Ph-S—), 7.16 (s, 1H), 7.23 (s, 2H), 7.32 (d, 1H), 7.43 (s, 2H), 7.56 (s, 1H), 7.81 (d, 1H), 8.02 (d, 1H), (insg.9arom, CH), 11.56 (s, 1H, -Ph-OH—CH3—C(CH3)3) |
| Chemical shifts | 13C | chloroform-d1 | 13C-NMR (CDCl3400 MHz): δ20.9 (-Ph-OH—CH3—C(CH3)3), 21.2 (CH3-Ph-S—), 29.5 (-Ph-OH—CH3—C(CH3)3), 35.4 (-Ph-OH—CH3—C(CH3)3), 115.3, 117.8, 119.3, 128.7, 129.3 130.5, 133.7(CHarom), 125.4, 141.2, 143.4 (Carom), 128.3 (Carom—CH3), 138.9 (Carom—S), 138.7 (S—Carom), 139.1 (Carom—C(CH3)3), 146.7(Carom—OH) | |
| Chemical shifts | 1H | chloroform-d1 | 400 | 1H-NMR (CDCl3400 MHz): δ 1.48 (s, 9H, -Ph-OH—CH3—C(CH3)3), 2.37 (s, 3H, -Ph-OH—CH3—C(CH3)3), 2.40 (s, 3H, CH3-Ph-S—), 7.16 (s, 1H), 7.23 (s, 2H), 7.32 (d, 1H), 7.43 (s, 2H), 7.56 (s, 1H), 7.81 (d, 1H), 8.02 (d, 1H), (insg. 9arom. CH), 11.56 (s, 1H, -Ph-OH—CH3—C(CH3)3) |
| Chemical shifts | 13C | chloroform-d1 | 13C-NMR (CDCl3400 MHz): δ 20.9 (-Ph-OH—CH3—C(CH3)3), 21.2 (CH3-Ph-S—), 29.5 (-Ph-OH—CH3—C(CH3)3), 35.4 (-Ph-OH—CH3—C(CH3)3), 115.3, 117.8, 119.3, 128.7, 129.3 130.5, 133.7 (CHarom), 125.4, 141.2, 143.4 (Carom), 128.3 (Carom—CH3), 138.9 (Carom—S), 138.7 (S—Carom), 139.1 (Carom—C(CH3)3), 146.7 (Carom—OH) Paragraph 0456 Current Patent Assignee: MIYOSHI OIL FAT – US2017/217937, 2017, A1 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Original Text (IR Spectroscopy) |
| Bands | potassium bromide | FT-IR (KBr); 3000 cm−1; O—H stretching vibration 1444, 1389 cm−1; triazole ring stretching vibration 667 cm−1; C—S stretching vibration |
| Bands | potassium bromide | FT-IR (KBr): 3000 cm−1: O—H stretching vibration, 1444, 1389 cm−1: triazole ring stretching vibration, 667 cm−1: C—S stretching vibration |
| Description (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| Spectrum | 369 | 21500 |
| Spectrum | 369 | 21500 |
| 2-(tert-Butyl)-4-methyl-6-(5-(p-tolylthio)-2H-benzo[d][1,2,3]triazol-2-yl)phenol CAS#: 1877301-52-4 UV | ![Spectral Scan Curve of 2-(tert-Butyl)-4-methyl-6-(5-(p-tolylthio)-2H-benzo[d][1,2,3]triazol-2-yl)phenol CAS# 1877301-52-4](https://www.chemwhat.com/wp-content/uploads/2026/06/Spectral-Scan-Curve-of-2-tert-Butyl-4-methyl-6-5-p-tolylthio-2H-benzod123triazol-2-ylphenol-CAS-1877301-52-4.jpg) |
Route of Synthesis (ROS)
![Route of Synthesis (ROS) of 2-(tert-Butyl)-4-methyl-6-(5-(p-tolylthio)-2H-benzo[d][1,2,3]triazol-2-yl)phenol CAS# 1877301-52-4](https://www.chemwhat.com/wp-content/uploads/2026/06/Route-of-Synthesis-ROS-of-2-tert-Butyl-4-methyl-6-5-p-tolylthio-2H-benzod123triazol-2-ylphenol-CAS-1877301-52-4.jpg)
| Conditions | Yield |
| With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 125℃; for 12h; | |
| With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 125℃; for 12h; |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | 290621 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 403.548 |
| logP | 8.465 |
| HBA | 3 |
| HBD | 1 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 76.24 |
| Rotatable Bond (RotB) | 4 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Widely used in high-end optical and electronic materials requiring strict UV and high-energy blue-light blocking performance. |
| Blue-light-blocking eyewear, functional resin lenses (CR-39, MR-8 systems), and contact lenses. |
| PET screen protective films, optical clear adhesives (OCA), and polarizer protective layers for smartphones and display panels. |
| Premium automotive window films, architectural window films, and high-end UV-curable functional coatings. |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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Other Suppliers | |
| Watson International Limited | Visit Watson Official Website |
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