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2,3-Diamino-5-bromopyridine

2,3-Diamino-5-bromopyridine structure

CAS No:
38875-53-5
Formula:
C5H6BrN3
Chemical Name:
2,3-Diamino-5-bromopyridine
Synonyms:
2,3-Pyridinediamine,5-bromo-;Pyridine,2,3-diamino-5-bromo-;5-Bromo-2,3-pyridinediamine;2,3-Diamino-5-bromopyridine;5-Bromo-2,3-diaminopyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

light yellow to purple or light brown powder or

2,3-Diamino-5-bromopyridine Basic Attributes

Molecular Weight：

188.03

Exact Mass：

188.03

BRN：

119436

EC Number：

254-172-9

UNII：

VS8NFO6O1G

DSSTox ID：

DTXSID30192129

HScode：

29333990

Characteristics

PSA：

64.9

XLogP3：

0.5

Appearance：

Light yellow to purple or light brown Powder or Needles

Density：

1.8±0.1 g/cm3

Melting Point：

214-215 °C

Boiling Point：

180 °C @ Press: 5 x 10^-3-0.01 Torr

Flash Point：

147.9±26.5 °C

Refractive Index：

1.712

Water Solubility：

soluble in hot water

Storage Conditions：

Room temperature.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-34

safety instructions：

26-36-37/39-45-36/37/39

Marks：

Xi,C

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (10.87%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,3-Diamino-5-bromopyridine Use and Manufacturing

Representative Procedures for the Synthesis of a 1, 4-Benzodiazepinone bearing a C5-1H- Imidazo[4, 5-b]pyridin-2(3H)-one Group; .Part I: Synthesis of Imidazo[4, 5-b]pyridin-2(3H)-one Boronic Acid; Step 1 5-Bromopyridine-2, 3-diamine. 5-Bromo-3-nitropyridin-2-amine (3 g) was dissolved in isopropyl alcohol (56 mL) and water (28 mL). Ammonium chloride (1.47 g, 2 eq) was added followed by iron powder (2.31 g, 3 eq). The reaction was heated to 90 Reference The title compound was prepared essentially as described by Petrow. et al., [J.] Chem. Soc. (1948) 1389, [1391.] A mixture of 2-amino-5-bromo-3-nitropyridine (62.2 g, 285 mmol), iron powder (171 g, 3.06 mol), concentrated hydrochloric acid (2.85 ml), water (60 [ML)] and ethanol (230 ml) was refluxed for 2 h, filtered whilst warm, the solids washed twice with ethanol (2 x 150 ml) and the combined ethanol solutions were evaporated to dryness. The crude solid was recrystallized from water, using decolourising charcoal, filtered whilst warm, the solids washed twice with warm ethanol (2 x 100 [ML), ] the ethanol evaporated off and the precipitate was filtered off, washed with water (3 x 75 ml) and dried to afford the title compound (27 g, 50percent). 'H NMR [(DMSO-D6)] : [No. ] 7.26 (1H, d); 6.78 (1H, d); 5.57 (2H, s); 4.97 (2H, s). APCI-MS m/z : 188.1/190. 1 [MH+].Step BBB: 5-Bromo-2, 3-diaminopyridine

Computed Properties

Molecular Weight:188.03
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:186.97451
Monoisotopic Mass:186.97451
Topological Polar Surface Area:64.9
Heavy Atom Count:9
Complexity:98.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 38875-53-5

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Guide of 2,3-Diamino-5-bromopyridine

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2,3-Diamino-5-bromopyridine

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