4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione
- Product Name
- 4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione
- CAS No.
- 1533519-84-4
- Chemical Name
- 4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione
- Synonyms
- LES10;Lesinurad INT3;LESINURAD intermdiate;Lesinurad intermediate;4-triazole-5(4H)-thione;4-(4-Cyclopropylnaphthalen-1-yl)-1H-1;1,4-Pentanediamine,N4-(6-methoxy-11-quinolinyl)-;4-(4-Cyclopropyl-1-naphthyl)-1,2,4-triazole-5(4H)-thione;4-(4-Cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol;4-(4-cyclopropyl naphthalene-1-yl)-4 H-1,2,4- triazole-3-thiol
- CBNumber
- CB02725589
- Molecular Formula
- C15H13N3S
- Formula Weight
- 267.35
- MOL File
- 1533519-84-4.mol
4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione Property
- Boiling point:
- 435.2±38.0 °C(Predicted)
- Density
- 1.41±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- 7.89±0.20(Predicted)
- Appearance
- White to off-white Powder
- InChI
- InChI=1S/C15H13N3S/c19-15-17-16-9-18(15)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-10H,5-6H2,(H,17,19)
- InChIKey
- UFYFJMMSOUURSF-UHFFFAOYSA-N
- SMILES
- N1=CN(C2=C3C(C=CC=C3)=C(C3CC3)C=C2)C(=S)N1
- CAS DataBase Reference
- 1533519-84-4
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
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- C989518
- Product name
- 4-(4-Cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione
- Packaging
- 10g
- Price
- $160
- Updated
- 2021/12/16
- Product number
- C989518
- Product name
- 4-(4-Cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione
- Packaging
- 25g
- Price
- $340
- Updated
- 2021/12/16
- Product number
- P000123218
- Product name
- 4-(4-Cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione
- Purity
- 97%
- Packaging
- 250mg
- Price
- $12
- Updated
- 2021/12/16
- Product number
- P000123218
- Product name
- 4-(4-Cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione
- Purity
- 97%
- Packaging
- 1g
- Price
- $30
- Updated
- 2021/12/16
- Product number
- P000123218
- Product name
- 4-(4-Cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione
- Purity
- 97%
- Packaging
- 5g
- Price
- $87
- Updated
- 2021/12/16
4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione Chemical Properties,Usage,Production
Chemical Properties
Off white powder
Uses
4-(4-Cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione is a reagent used in the discovery of Lesinurad, a HEK293 cell-based inhibitor.
Synthesis
1533519-86-6
1533519-84-4
Example 5. Preparation of 4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiols To a round-bottomed flask was added N-(4-cyclopropyl-1-naphthalenyl)-2-formylhydrazine thiocarboxamide (64.0 g, 225 mmol), N,N-dimethylformamide (300 mL), and 1 mol/L aqueous sodium hydroxide solution (225 mL) to form a mixture. After stirring, the mixture was heated to 30 °C and kept for 16 hours. After the reaction was completed, the mixture was cooled to room temperature (about 20°C). Subsequently, 1 mol/L hydrochloric acid (about 200 mL) was slowly added to the mixture until the pH of the mixture was about 6.0, and then water (about 500 mL) was added. The mixture was stirred for 15 minutes and then filtered. The filter cake was washed with water and the product was dried under vacuum at 50 °C for 5 h to give 4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol as a gray-green solid, 54.0 g in 90% yield. LC-MS: m/z (ESI): 268 (M + H)+. 1H NMR (400 MHz, acetone-d6): δ 8.57 (d, J = 8.0 Hz, 1H), 8.37 (s, 1H), 7.67 (m, 1H), 7.60 (m, 1H), 7.51 (d, J = 8.0 Hz, 1H), 7.48 (d, J = 8.0 Hz, 1H), 7.43 (d, J = 8.0 Hz, 1H), 2.50 (m, 1H), 1.16 (m, 2H), 0.84 (m, 2H).
References
[1] Patent: WO2014/198241, 2014, A1. Location in patent: Paragraph 069-070
[2] Patent: WO2014/8295, 2014, A1. Location in patent: Paragraph 0337
4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione Preparation Products And Raw materials
Raw materials
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View Lastest Price from 4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione manufacturers
- Product
- 4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione 1533519-84-4
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 500000kg
- Release date
- 2024-11-01
- Product
- 4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione 1533519-84-4
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-09-30
- Product
- 4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione 1533519-84-4
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 0.99
- Supply Ability
- 20tons
- Release date
- 2023-10-08