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2-Bromo-3-iodopyridine

2-Bromo-3-iodopyridine structure

CAS No:
265981-13-3
Formula:
C5H3BrIN
Chemical Name:
2-Bromo-3-iodopyridine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Bromo-3-iodopyridine Basic Attributes

Molecular Weight：

283.9

Exact Mass：

122.084396

DSSTox ID：

DTXSID10463506

HScode：

2933399090

Characteristics

PSA：

12.9

XLogP3：

2.5

Density：

1.0±0.1 g/cm3

Melting Point：

95-100°C

Boiling Point：

284℃

Flash Point：

126℃

Refractive Index：

1.564

Vapor Pressure：

0.00521mmHg at 25°C

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

22-41-50

safety instructions：

26-39-61

Marks：

Xn,N

Precautionary statement(s)：

P273-P280-P305 + P351 + P338

Hazard Statements：

H302-H318-H400

GHS Classification：

|Danger|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P391, and P501|Aggregated GHS information provided by 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-3-iodopyridine Use and Manufacturing

a) Under Ar atmosphere n-BuLi (12.78 mL of a 2.5 Msolution in hexanes 31.96 mmol) was added to a solution of iPr2NH (4.44 mL, 31.96 mmol) inTHF (100 mL) at -45 °C. After stirring for 0.5 h, the reaction mixture was further cooled to-95 °C (toluene/liquid N2), and 2-bromopyridine (3.02 mL, 31.65 mmol) was added. Theresulting mixture was stirred at -95 °C to -90 °C for 3 to 4 h and I2 (8.03 g, 31.65 mmol) wasadded in portions. After slowly warming to rt overnight, the mixture was quenched with 10percentaq. HOAc solution (pH 8–9) and then distilled water (50 mL) was added. The organicmaterial was extracted with diethyl ether and the resulting solution was dried over anhydrousK2CO3. The solvent was evaporated in vacuo and the crude 2-bromo-3-iodopyridine wasobtained as a brown powder. The brown powder was then dried in vacuo in a desicatortogether with KOH pellets over 3 hours. The 2-bromo-3-iodopyridine (7.66 g, 85percent) washighly pure as judged from 1H NMR and it was directly used for the next step. 1H NMR (499.93 MHz, CDCl3, 25 °C): δ = 8.05 (dd, J = 0.6, 5.2 Hz, 1H), 7.91 (dd, J = 0.6, 1.5 Hz, 1H), 7.62 (dd, J = 1.5, 5.2 Hz, 1H). Data are in accordance with the literature [17].

Computed Properties

Molecular Weight:283.89
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Exact Mass:282.84936
Monoisotopic Mass:282.84936
Topological Polar Surface Area:12.9
Heavy Atom Count:8
Complexity:78.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Bromo-3-iodopyridine

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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2-Bromo-3-iodopyridine 99%

CAS No.: 265981-13-3

Content: 99%

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