5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid
- Product Name
- 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid
- CAS No.
- 50593-92-5
- Chemical Name
- 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid
- Synonyms
- 5-Bromo-2-(Methylsulfanyl)-4-P;5-BROMO-2-(METHYLTHIO)PYRIMIDINE-4-CARB&;5-Bromo-2-(methylthio)pyrimidine-carboxylic acid;5-BROMO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID;5-Bromo-2-(methylthio)-pyrimidin-4-carboxylic acid;5-Bromo-2-(Methylthio)-4-pyrimidine carboxylic acid;4-Pyrimidinecarboxylic acid, 5-bromo-2-(methylthio)-;5-BROMO-2-METHYLSULFANYL-PYRIMIDINE-4-CARBOXYLIC ACID;5-Bromo-2-(methylsulfanyl)-4-pyrimidine-carboxylicaci;5-BROMO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLIC ACID
- CBNumber
- CB3187588
- Molecular Formula
- C6H5BrN2O2S
- Formula Weight
- 249.09
- MOL File
- 50593-92-5.mol
5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid Property
- Melting point:
- 158-162 °C (dec.)
- Boiling point:
- 414.5±30.0 °C(Predicted)
- Density
- 1.91±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- solid
- pka
- 1.31±0.10(Predicted)
- Appearance
- Light yellow to brown Solid
- InChI
- InChI=1S/C6H5BrN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
- InChIKey
- YJEWVVYJOJJLBP-UHFFFAOYSA-N
- SMILES
- C1(SC)=NC=C(Br)C(C(O)=O)=N1
- CAS DataBase Reference
- 50593-92-5(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38-20/21/22
- Safety Statements
- 26-36/37-28
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 29335990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
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.
N-Bromosuccinimide Price
- Product number
- 656739
- Product name
- 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid
- Purity
- 97%
- Packaging
- 1g
- Price
- $47.7
- Updated
- 2023/01/07
- Product number
- B3829
- Product name
- 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic Acid
- Purity
- >97.0%(T)
- Packaging
- 1g
- Price
- $26
- Updated
- 2025/07/31
- Product number
- B3829
- Product name
- 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic Acid
- Purity
- >97.0%(T)
- Packaging
- 5g
- Price
- $102
- Updated
- 2025/07/31
- Product number
- B697833
- Product name
- 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic Acid
- Packaging
- 1g
- Price
- $75
- Updated
- 2021/12/16
- Product number
- 295543
- Product name
- 5-Bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid
- Packaging
- 5g
- Price
- $432
- Updated
- 2021/12/16
5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid Chemical Properties,Usage,Production
Chemical Properties
White to yellow to light brown solid
Synthesis
488-11-9
867-44-7
50593-92-5
Mucobromic acid (58.05 g, 0.225 mol) was slowly added to a stirring aqueous solution (500 mL) of S-methylisothiourea sulfate (62.66 g, 0.225 mol) at room temperature. Subsequently, the reaction suspension was cooled to 10 °C (using an ice bath) and triethylamine (94.1 mL, 0.675 mol) was added dropwise over 4 hours. After the dropwise addition was completed, the reaction mixture was allowed to stand at room temperature for 24 hours. Upon completion of the reaction, activated carbon (Darco G-60) was added to the dark red/brown solution and the activated carbon was removed by filtration after stirring for 10 minutes. The filtrate was acidified with concentrated hydrochloric acid (50 mL) and the precipitated yellow precipitate was collected by filtration and washed sequentially with water (2 x 80 mL) and ether (2 x 100 mL). Finally, the product was dried in a vacuum oven at 50 °C for 2 days to afford 2-(methylthio)-5-bromo-4-pyrimidinecarboxylic acid (33.13 g, 59% yield) as a yellow amorphous solid.1H NMR (DMSO-d6, 400 MHz) δ: 2.75 (s, 3H), 9.20 (s, 1H).
References
[1] Collection of Czechoslovak Chemical Communications, 1980, vol. 45, # 2, p. 539 - 547
[2] Patent: WO2006/66172, 2006, A1. Location in patent: Page/Page column 50
[3] Patent: WO2017/221100, 2017, A1. Location in patent: Paragraph 00283
[4] Patent: WO2014/99836, 2014, A1. Location in patent: Page/Page column 29; 30
5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid Preparation Products And Raw materials
Raw materials
Preparation Products
5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid Suppliers
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- Country
- Belgium
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View Lastest Price from 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid manufacturers
- Product
- 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid 50593-92-5
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 20 tons
- Release date
- 2025-07-23
- Product
- 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid 50593-92-5
- Price
- US $980.00/Kg
- Min. Order
- 1Kg
- Purity
- 98
- Supply Ability
- 5000 Kg
- Release date
- 2025-03-04
- Product
- 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid 50593-92-5
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.00%
- Supply Ability
- 100 Tons Min
- Release date
- 2021-12-01