ChemicalBook--->CAS DataBase List--->123148-78-7

123148-78-7

123148-78-7 Structure

123148-78-7 Structure
IdentificationBack Directory
[Name]

4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine
[CAS]

123148-78-7
[Synonyms]

EOS-62121
6-Chloro-7-iodo-deazapurine
4-Chloro-5-iodo-1H-pyrrol...
6-Chloro-7-iodo-7-deazapurine
6-Chloro-7-iodo-7-deazapurine >
6-Chloro-7-iodo-7-deazapurine,96%
4-CHLORO-5-IODO-7H-PYRROL[2,3]PYRIMIDINE
4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine
5-Iodo-4-chloro-7H-pyrrol[2,3-d]pyrimidine
4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
4-CHLORO-5-IODO-1H-PYRROLO [2,3-D] PYRIMIDINE
7H-Pyrrolo[2,3-d]pyriMidine, 4-chloro-5-iodo-
JR-13973, 4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine, 95%
4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine ISO 9001:2015 REACH
4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine 6-Chloro-7-iodo-7-deazapurine
[EINECS(EC#)]

626-377-7
[Molecular Formula]

C6H3ClIN3
[MDL Number]

MFCD09263258
[MOL File]

123148-78-7.mol
[Molecular Weight]

279.47
Chemical PropertiesBack Directory
[Melting point ]

179-183 °C
[Boiling point ]

241.0±50.0 °C(Predicted)
[density ]

2.47±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

9.61±0.20(Predicted)
[color ]

White to Orange to Green
[Water Solubility ]

Insoluble in water.
[Sensitive ]

Light Sensitive
[λmax]

305nm(H2O)(lit.)
[InChI]

InChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
[InChIKey]

CBWBJFJMNBPWAL-UHFFFAOYSA-N
[SMILES]

C1=NC(Cl)=C2C(I)=CNC2=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38-R36/37/38-R22
[Safety Statements ]

26-36/37-S36/37-S26-37
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

6-Chloro-7-iodo-7-deazapurine is used as pharmaceutical intermediate.
[Definition]

4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine, also known as 6-Chloro-7-iodo-7-deazapurine or 4-Chloro-5-iodo-1H-pyrrolo[2,3-d]pyrimidine, is a white solid that can be obtained by iodine reaction of 4-chloro-7h-pyrrole [2,3-d] pyrimidine with NIS.
[Synthesis]

4-chloro-7h-pyrrole [2,3-d] pyrimidine (8.0 g, 52.32 mmol, 1.0 eq) was dissolved in DMF(40 mL) and NIS(15.7g, 57.55 mmol, 1.1eq) was added at 0℃. After stirring at room temperature overnight, 200 mL of saturated Na2S2O3 solution was added. The mixture was filtered, washed with water three times, and vacuum drying, to obtain 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine.
[References]

[1] Patent: US2005/107312, 2005, A1
[2] Patent: US2005/215510, 2005, A1
[3] Patent: US2005/215511, 2005, A1
[4] Patent: US2005/215511, 2005, A1
[5] Patent: WO2012/158795, 2012, A1. Location in patent: Page/Page column 100
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine(123148-78-7)1HNMR
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