ChemicalBook > CAS DataBase List > 5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene

Product Name: 5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene
CAS No.: 57564-94-0
Chemical Name: 5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene
Synonyms: NSC 70903;4-chloro-2-(Methylthio)-7H-pyrrolo[2;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-amine;4-Chloro-2-methylthiopyrrolo[2,3-d]pyrimidine;2-(Methylthio)-4-chloropyrrolo<2,3-d>pyriMidine;4-Chloro-2-(Methylthio)-7H-pyrrolo[2,3-D]pyriMidin;7H-Pyrrolo[2,3-D]pyrimidine, 4-chloro-2-(methylthio)-;4-Chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;Inchi=1/C7H6cln3S/C1-12-7-10-5(8)4-2-3-9-6(4)11-7/H2-3H,1H3,(H,9,10,11;5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]no-2,4,7,10-tetraene
CBNumber: CB41457962
Molecular Formula: C7H6ClN3S
Formula Weight: 199.66
MOL File: 57564-94-0.mol

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5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene Property

Boiling point:: 342.1±52.0 °C(Predicted)
Density: 1.59
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 10.01±0.20(Predicted)
Appearance: Off-white to light yellow Solid
InChI: InChI=1S/C7H6ClN3S/c1-12-7-10-5(8)4-2-3-9-6(4)11-7/h2-3H,1H3,(H,9,10,11)
InChIKey: WEGGBXZHIWVHOI-UHFFFAOYSA-N
SMILES: C1(SC)=NC(Cl)=C2C=CNC2=N1

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Safety

Hazard Codes: T
Risk Statements: 25
Safety Statements: 45
RIDADR: 2811
WGK Germany: 3
HazardClass: 6.1
PackingGroup: Ⅲ
HS Code: 2933998090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word: Danger
Hazard statements: H301Toxic if swalloed
Precautionary statements: P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: JRD0387
Product name: 4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
Purity: Aldrich
Packaging: 1g
Price: $463
Updated: 2023/01/07

TRC

Product number: C994603
Product name: 4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
Packaging: 10mg
Price: $45
Updated: 2021/12/16

BroadPharm

Product number: BP-20050
Product name: 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
Purity: 97%
Packaging: 250mg
Price: $180
Updated: 2021/12/16

BroadPharm

Product number: BP-20050
Product name: 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
Purity: 97%
Packaging: 1g
Price: $335
Updated: 2021/12/16

SynQuest Laboratories

Product number: 7H66-5-95
Product name: 4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine
Packaging: 250mg
Price: $416
Updated: 2021/12/16

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5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene Chemical Properties,Usage,Production

Synthesis

67831-83-8

57564-94-0

General procedure for the synthesis of 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidines from 2-methylthio-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidines: triclosan (5 mL, 53.7 mmol) and triethylamine (0.2 mL, 1.43 mmol) were added to 2-methylthio-7H-pyrrolo[2,3-d]pyrimidin-4-yl alcohol (0.10 g, 0.55 mmol). The reaction mixture was heated to reflux at 130 °C for 4 h and subsequently cooled to room temperature. Excess trichlorophosphate was removed by distillation under reduced pressure. Ice water was carefully added to the residue and the suspension was extracted with ether (3 x 20 mL). The organic phases were combined, washed with distilled water (10 mL), dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. The crude product was purified by column chromatography (Florisil, 100-200 mesh), using diethyl ether as eluent, to give the pure 4-chloro-2-methylthio-7H-pyrrolo[2,3-d]pyrimidine in 77% yield (literature value 43%). Melting point: 207-209°C. 1H NMR (CDCl3): δ 2.67 (s, 3H, SCH3), 6.56-6.59 (m, 1H, H-5), 7.21-7.23 (m, 1H, H-6). IR (KBr) cm-1: 3412 (NH), 3122 (CH), 1614 (C=C). Mass Spectrometry (MS): m/z [M+1]+ 201. Calculated values for elemental analysis (C7H6N3ClS): C 42.11, H 3.03, N 21.05, S 16.06; measured values: C 42.29, H 3.38, N 21.14, S 16.36.

References

[1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 22, p. 6770 - 6789
[2] European Journal of Medicinal Chemistry, 2017, vol. 127, p. 369 - 378

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene manufacturers

Career Henan Chemical Co

Product: 5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene 57564-94-0
Price: US $9.80/KG
Min. Order: 1g
Purity: ≥99%
Supply Ability: 100kg
Release date: 2020-01-10

57564-94-0, 5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraeneRelated Search:

4-chloro-1H-indole-2-carboxylic acid 4-Chloro-2-pyridinemethanamine 4-CHLORO-2-METHYLPYRIMIDINE 4-chloro-2-methylpyrido[2,3-d]pyrimidine 4-CHLORO-2-PHENYLPYRIDINE 1-BOC-PYRROLIDINE-3-CARBOXYLIC ACID 4-CHLORO-1,3-DIHYDRO-INDOL-2-ONE 4-Chloro-2-iodopyridine 4-Chloro-2-MethylpyriMidine-5-carbonitrile 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-2-iodo- 4-Chloro-2,3-difluoropyridine 1H-Indole-2-carboxylic acid, 4-chloro-, Methyl ester Pyrimidine, 4-chloro-2-methoxy- (9CI) 4-Chloro-2,8-diMethylquinazoline 4-Chloro-2-fluoronicotinaldehyde 4-Chloro-2-methylfuro[3,2-d]pyrimidine 4-chloro-2-methylquinazoline 5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene

4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-amine

7H-Pyrrolo[2,3-D]pyrimidine, 4-chloro-2-(methylthio)-

Inchi=1/C7H6cln3S/C1-12-7-10-5(8)4-2-3-9-6(4)11-7/H2-3H,1H3,(H,9,10,11

4-Chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-2-(Methylthio)-7H-pyrrolo[2

4-Chloro-2-(Methylthio)-7H-pyrrolo[2,3-D]pyriMidin

2-(Methylthio)-4-chloropyrrolo<2,3-d>pyriMidine

4-Chloro-2-methylthiopyrrolo[2,3-d]pyrimidine

NSC 70903

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]no-2,4,7,10-tetraene

57564-94-0

Heterocycle-Pyrimidine series

CHIRAL CHEMICALS