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5-Iodo-2-methoxypyridine

5-Iodo-2-methoxypyridine structure

CAS No:
13472-61-2
Formula:
C6H6INO
Chemical Name:
5-Iodo-2-methoxypyridine
Synonyms:
Pyridine,5-iodo-2-methoxy-;5-Iodo-2-methoxypyridine;2-Methoxy-5-iodopyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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5-Iodo-2-methoxypyridine Basic Attributes

Molecular Weight：

235.02241

Exact Mass：

235.02

DSSTox ID：

DTXSID80633936

HScode：

29333990

Characteristics

PSA：

22.1

XLogP3：

1.8

Appearance：

Clear colorless to pale yellow Liquid

Density：

1.825

Boiling Point：

109-110 °C

Flash Point：

97℃

Refractive Index：

1.6060 to 1.6100

Vapor Pressure：

0.001mmHg at 25°C

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Iodo-2-methoxypyridine Use and Manufacturing

To an ice-cooled solution of isopropylmagnesium chloride (1.61 M inTHF, 4.64 mL, 7.47 mmol) in THF (20 mL) was slowly added n-BuLi(1.5 M in hexane, 4.98 mL, 7.47 mmol). The mixture was then stirred for 5 min to give a yellow solution, then 5-bromo-2-methoxypyridine (1.405 g, 0.98 mL, 7.10 mmol, 95percent) was added and the resulting solution was stirred for 45 min at 0 °C. Molecular iodine (3.79 g, 14.94 mmol) was added and the mixture was stirred for 30 min at 0 °C then for 1 h at r.t. Sat. aq NH4Cl (5 mL) was then added, and the phases were separated. The aqueous phase was extracted with EtOAc (2 × 75mL) and the combined organic layers were dried over MgSO4, filtered, and concentrated in vacuo. The resulting crude product was purified by silica gel chromatography (EtOAc–heptanes, 5–80percent) to afford 4.

Computed Properties

Molecular Weight:235.02
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:234.94941
Monoisotopic Mass:234.94941
Topological Polar Surface Area:22.1
Heavy Atom Count:9
Complexity:89.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Methoxy-5-Iodopyridine

CAS No.: 13472-61-2

Content: 99.00%

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