| Identification | More | [Name]
1H-BENZOTRIAZOLE-1-METHANOL | [CAS]
28539-02-8 | [Synonyms]
1H-1,2,3-BENZOTRIAZOL-1-YLMETHANOL
1H-BENZOTRIAZOLE-1-METHANOL
1-(HYDROXYMETHYL)-1H-BENZOTRIAZOLE
AKOS 92621
AURORA 19841
BENZOTRIAZOL-1-YL-METHANOL
Benzotriazolemethanol
(1H-Benzotriazole-1-yl)methanol | [Molecular Formula]
C7H7N3O | [MDL Number]
MFCD00179118 | [Molecular Weight]
149.15 | [MOL File]
28539-02-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
150-152 °C (lit.) | [Boiling point ]
340.2±25.0 °C(Predicted) | [density ]
1.41±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
powder to crystal | [pka]
12.80±0.10(Predicted) | [color ]
White to Almost white | [InChI]
InChI=1S/C7H7N3O/c11-5-10-7-4-2-1-3-6(7)8-9-10/h1-4,11H,5H2 | [InChIKey]
MXJIHEXYGRXHGP-UHFFFAOYSA-N | [SMILES]
N1(CO)C2=CC=CC=C2N=N1 | [CAS DataBase Reference]
28539-02-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HS Code ]
2933998090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
Catalyst for:
- Hydrolysis of phenyl esters of a-furoic acid
Used as:
- Corrosion inhibitor of iron in aerated acidic media
- Reactive oxygen scavenger
Reactant for:
- Synthesis of hydroxy-skipped bis-homo-inositols as potential glycosidase inhibitors via Sharpless asymmetric dihydroxylation and substrate-directed anionic hydroxymethylation
- Enantioselective synthesis of aplysin utilizing a palladium-catalyzed addition of an arylboronic acid to an allenic alcohol, followed by Eschenmoser/Claisen rearrangement
- Synthesis of substituted dihydroquinoline carboxylic acids as antitumor and HIV-1 integrase inhibitors
- Gosteli-Claisen rearrangement
| [reaction suitability]
reaction type: C-C Bond Formation | [Synthesis]
Example 30 Synthesis of 1H-benzotriazole-1-methanol: 10 g (83.94 mmol) of 1H-benzotriazole was dissolved in 6.81 mL (83.94 mmol) of 37% formaldehyde aqueous solution. The temperature of the mixture was adjusted to 25°C under stirring. After 5 minutes of reaction, the mixture was cured. Subsequently, the reaction mixture was cooled to room temperature, filtered and washed with ether. The resulting solid was ground in cold tetrahydrofuran and filtered again (Int.94). Product yield: 94%, melting point: 148-150°C (determined by recrystallization from tetrahydrofuran and ether). | [References]
[1] Patent: US2004/67998, 2004, A1. Location in patent: Page/Page column 24
[2] Journal of the American Chemical Society, 2017, vol. 139, # 27, p. 9281 - 9290
[3] Patent: CN102688233, 2016, B. Location in patent: Paragraph 0095; 0098
[4] Patent: CN106188103, 2016, A. Location in patent: Paragraph 0035; 0037
[5] Journal of the American Chemical Society, 1952, vol. 74, p. 3868 |
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