ChemicalBook > CAS DataBase List > 2-METHYLTHIO-4-BROMOPYRIMIDINE

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

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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

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Safety

RIDADR: UN1759
HazardClass: 8
HS Code: 2933599590

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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.

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N-Bromosuccinimide Price

TRC

Product number: B697828
Product name: 4-Bromo-2-(methylthio)pyrimidine
Packaging: 500mg
Price: $65
Updated: 2021/12/16

Matrix Scientific

Product number: 076443
Product name: 4-Bromo-2-(methylthio)pyrimidine
Purity: 95+%
Packaging: 1g
Price: $115
Updated: 2021/12/16

SynQuest Laboratories

Product number: 7H66-9-0A
Product name: 4-Bromo-2-methylsulfanylpyrimidine
Purity: 97%
Packaging: 1g
Price: $133
Updated: 2021/12/16

AK Scientific

Product number: W9785
Product name: 4-Bromo-2-(methylthio)pyrimidine
Packaging: 1g
Price: $136
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0358736
Product name: 4-BROMO-2-(METHYLTHIO)PYRIMIDINE
Purity: 95.00%
Packaging: 5MG
Price: $496.4
Updated: 2021/12/16

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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

Dideu Industries Group Limited

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

Career Henan Chemical Co

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

959236-97-6, 2-METHYLTHIO-4-BROMOPYRIMIDINERelated Search:

Propylthiouracil

4-broMo-2-(Methylsulfanyl)pyriMidine

4-Bromo-2-(methylthio)pyrimidine

Pyrimidine, 4-bromo-2-(methylthio)-

4-BroMo-2-(Methylthio)pyriMidine, 95+%

2-METHYLTHIO-4-BROMOPYRIMIDINE

2-METHYLTHIO-4-BROMOPYRIMIDINE ISO 9001：2015 REACH

959236-97-6

Heterocycle-Pyrimidine series