2-METHYLTHIO-4-BROMOPYRIMIDINE
- Product Name
- 2-METHYLTHIO-4-BROMOPYRIMIDINE
- CAS No.
- 959236-97-6
- Chemical Name
- 2-METHYLTHIO-4-BROMOPYRIMIDINE
- Synonyms
- 2-METHYLTHIO-4-BROMOPYRIMIDINE;4-Bromo-2-(methylthio)pyrimidine;Pyrimidine, 4-bromo-2-(methylthio)-;4-broMo-2-(Methylsulfanyl)pyriMidine;4-BroMo-2-(Methylthio)pyriMidine, 95+%;2-METHYLTHIO-4-BROMOPYRIMIDINE ISO 9001：2015 REACH
- CBNumber
- CB21511473
- Molecular Formula
- C5H5BrN2S
- Formula Weight
- 205.08
- MOL File
- 959236-97-6.mol
2-METHYLTHIO-4-BROMOPYRIMIDINE Property
- Melting point:
- 30-40℃
- Boiling point:
- 281℃
- Density
- 1.72
- Flash point:
- 124℃
- storage temp.
- Inert atmosphere,Store in freezer, under -20°C
- form
- Low Melting Solid
- pka
- -0.76±0.20(Predicted)
- color
- Pale yellow to brown
- InChI
- InChI=1S/C5H5BrN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
- InChIKey
- TZSQAGYDWPPKPE-UHFFFAOYSA-N
- SMILES
- C1(SC)=NC=CC(Br)=N1
Safety
- RIDADR
- UN1759
- HazardClass
- 8
- HS Code
- 2933599590
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H314Causes severe skin burns and eye damage
H318Causes serious eye damage
- Precautionary statements
-
P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- B697828
- Product name
- 4-Bromo-2-(methylthio)pyrimidine
- Packaging
- 500mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- 076443
- Product name
- 4-Bromo-2-(methylthio)pyrimidine
- Purity
- 95+%
- Packaging
- 1g
- Price
- $115
- Updated
- 2021/12/16
- Product number
- 7H66-9-0A
- Product name
- 4-Bromo-2-methylsulfanylpyrimidine
- Purity
- 97%
- Packaging
- 1g
- Price
- $133
- Updated
- 2021/12/16
- Product number
- W9785
- Product name
- 4-Bromo-2-(methylthio)pyrimidine
- Packaging
- 1g
- Price
- $136
- Updated
- 2021/12/16
- Product number
- W9785
- Product name
- 4-Bromo-2-(methylthio)pyrimidine
- Packaging
- 5g
- Price
- $242
- Updated
- 2021/12/16
2-METHYLTHIO-4-BROMOPYRIMIDINE Chemical Properties,Usage,Production
Synthesis
49844-90-8
959236-97-6
General procedure for the synthesis of 2-methylthio-4-bromopyrimidine from 2-methylthio-4-chloropyrimidine: Bromotrimethylsilane (23 mL, 174.31 mmol) was added slowly and dropwise to an anhydrous acetonitrile (240 mL) solution of 4-chloro-2-methylthio-pyrimidine (2.9 g, 25 mmol) under argon protection. The reaction mixture was stirred in an oil bath at 40 °C for 30 h, during which the progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the mixture was cooled to room temperature and the reaction was quenched by slow addition of saturated sodium bicarbonate solution (250 mL). The aqueous phase was extracted with ethyl acetate (3 × 100 mL), and the organic phases were combined and dried over anhydrous sodium sulfate. After filtration to remove the desiccant, the organic phase was concentrated under reduced pressure to obtain the crude product. The crude product was purified by silica gel column chromatography with the eluent dichloromethane/ethyl acetate (9:1, v/v). The target fraction was collected and the solvent was evaporated under reduced pressure to afford the target compound 2-methylthio-4-bromopyrimidine as a colorless oil in 96% yield (4.66 g). The structure of the product was confirmed by 1H NMR, 13C NMR and HPLC: 1H NMR (CDCl3) δ 2.56 (s, 3H, SCH3), 7.16 (d, 1H, J = 5.2 Hz, H-5), 8.26 (d, 1H, J = 5.2 Hz, H-6); 13C NMR (CDCl3) δ 13.5 (SCH3), 116.2 (C-5), 140.3 (C-6), 158.7 (C-4), 162.4 (C-2); HPLC Rt = 3.11 min.
References
[1] European Journal of Medicinal Chemistry, 2017, vol. 125, p. 696 - 709
[2] ChemMedChem, 2016, vol. 11, # 22, p. 2522 - 2533
[3] Organic Letters, 2011, vol. 13, # 19, p. 5000 - 5003
2-METHYLTHIO-4-BROMOPYRIMIDINE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2-METHYLTHIO-4-BROMOPYRIMIDINE manufacturers
- Product
- 2-METHYLTHIO-4-BROMOPYRIMIDINE 959236-97-6
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.00%
- Supply Ability
- 100 Tons Min
- Release date
- 2021-12-01
- Product
- 2-METHYLTHIO-4-BROMOPYRIMIDINE 959236-97-6
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2020-01-02