3,5-DIBROMO-1-METHYL-1H-1,2,4-TRIAZOLE
- Product Name
- 3,5-DIBROMO-1-METHYL-1H-1,2,4-TRIAZOLE
- CAS No.
- 23579-79-5
- Chemical Name
- 3,5-DIBROMO-1-METHYL-1H-1,2,4-TRIAZOLE
- Synonyms
- 3,5-dibroMoMethyl-1,2,4-triazole;Methyl-3,5-dibroMo-1,2,4-triazole;1-Methyl-3,5-dibroMo-1,2,4-triazole;3,5-dibromo-1-methyl-1,2,4-triazole;1-Methyl-3,5-dibroMo-1H-1,2,4-triazole;3,5-DIBROMO-1-METHYL-1H-1,2,4-TRIAZOLE;1H-1,2,4-Triazole, 3,5-dibromo-1-methyl-
- CBNumber
- CB42464398
- Molecular Formula
- C3H3Br2N3
- Formula Weight
- 240.88
- MOL File
- 23579-79-5.mol
3,5-DIBROMO-1-METHYL-1H-1,2,4-TRIAZOLE Property
- Boiling point:
- 326.6±25.0 °C(Predicted)
- Density
- 2.49±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -1.31±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C3H3Br2N3/c1-8-3(5)6-2(4)7-8/h1H3
- InChIKey
- OAPQSGTTZLYWJB-UHFFFAOYSA-N
- SMILES
- N1(C)C(Br)=NC(Br)=N1
Safety
- HazardClass
- IRRITANT
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- FD126473
- Product name
- 3,5-Dibromo-1-methyl-1H-1,2,4-triazole
- Packaging
- 250mg
- Price
- $85
- Updated
- 2021/12/16
- Product number
- 1599AB
- Product name
- 3,5-Dibromo-1-methyl-1H-1,2,4-triazole
- Packaging
- 250mg
- Price
- $115
- Updated
- 2021/12/16
- Product number
- FD126473
- Product name
- 3,5-Dibromo-1-methyl-1H-1,2,4-triazole
- Packaging
- 500mg
- Price
- $150
- Updated
- 2021/12/16
- Product number
- 066605
- Product name
- 3,5-Dibromo-1-methyl-1H-1,2,4-triazole
- Packaging
- 500mg
- Price
- $237
- Updated
- 2021/12/16
- Product number
- FD126473
- Product name
- 3,5-Dibromo-1-methyl-1H-1,2,4-triazole
- Packaging
- 1g
- Price
- $255
- Updated
- 2021/12/16
3,5-DIBROMO-1-METHYL-1H-1,2,4-TRIAZOLE Chemical Properties,Usage,Production
Uses
3,5-Dibromo-1-methyl-1H-1,2,4-triazole is an intermediate in the preparation of modulators of Rho-associated protein kinase.
Synthesis
7411-23-6
74-88-4
23579-79-5
In a 250 mL round-bottomed flask, 3,5-dibromo-1H-1,2,4-triazole (8.00 g, 35.3 mmol) was dissolved in N,N-dimethylformamide (DMF, 80 mL) and the solution was cooled to 0-5°C (ice bath). Sodium hydride (60% mineral oil dispersion, 1.69 g, 42.3 mmol) was added in batches and the reaction mixture was stirred at 0-5°C for 45 min, followed by 15 min at room temperature. Iodomethane (10.0 g, 4.41 mL, 70.5 mmol) was slowly added dropwise at 0-5°C (ice bath). After completion of the dropwise addition, the reaction mixture was stirred at room temperature for 18 hours. After completion of the reaction, the mixture was concentrated under reduced pressure and the residue was diluted with ethyl acetate (200 mL) and water (200 mL), the aqueous phase was separated and extracted with ethyl acetate (2 x 200 mL). The organic layers were combined, dried over anhydrous sodium sulfate and concentrated under reduced pressure to afford 3,5-dibromo-1-methyl-1,2,4-triazole as a light yellow solid (8.15 g, 96% yield). The product was characterized by 1H NMR (CDCl3, 300 MHz): δ 3.89 (s, 3H). Mass spectrum (ES+) m/z: 240.0, 242.0, 244.0 [M + H, 2 Br isotope].
References
[1] Patent: WO2018/87018, 2018, A1. Location in patent: Page/Page column 55
[2] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 13, p. 2679 - 2685
[3] Patent: WO2014/195321, 2014, A1. Location in patent: Page/Page column 16; 17
[4] Patent: WO2014/195322, 2014, A1. Location in patent: Page/Page column 16
[5] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 24, p. 5805 - 5813
3,5-DIBROMO-1-METHYL-1H-1,2,4-TRIAZOLE Preparation Products And Raw materials
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View Lastest Price from 3,5-DIBROMO-1-METHYL-1H-1,2,4-TRIAZOLE manufacturers
- Product
- 3,5-Dibromo-1-methyl-1,2,4-triazole 23579-79-5
- Price
- US $74.00-662.00/g
- Min. Order
- 5g
- Purity
- 0.97
- Supply Ability
- 25kg
- Release date
- 2023-12-21