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2-Amino-4-bromopyridine

2-Amino-4-bromopyridine structure

CAS No:
84249-14-9
Formula:
C5H5BrN2
Chemical Name:
2-Amino-4-bromopyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Off-White to Beige Solid

2-Amino-4-bromopyridine Basic Attributes

Molecular Weight：

173.01

Exact Mass：

171.963608

EC Number：

-0

DSSTox ID：

DTXSID80351204

HScode：

2933399090

Characteristics

PSA：

38.9

XLogP3：

1.2

Density：

1.7±0.1 g/cm3

Melting Point：

136-138°C

Boiling Point：

340.7ºC at 760 mmHg

Flash Point：

116.0±21.8 °C

Refractive Index：

1.636

Storage Conditions：

Room temperature.

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-36-22

safety instructions：

26-36

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Amino-4-bromopyridine Use and Manufacturing

2-Amino-4-bromopyridine (166)tert-Bxx\y\ carbamate 155 (200 mg, 0.73 mol) is suspended in water (1 mL) and treated with HBr (1 mL, 48 wt. percent in water). After stirring 16 h, the reaction mixture is poured onto aqueous NaHCOSynthesis of Compound 3582-Amino-4-bromopyridine (166) 2-Amino-4-bromopyridine (166); tert-Butyl carbamate 155 (200 mg, 0.73 mol) is suspended in water (1 mL) and treated with HBr (1 mL, 48 wt. percent in water). After stirring 16 h, the reaction mixture is poured onto aqueous NaHCOSynthesis of Compound 358; 2-Amino-4-bromopyridine (166); tert-Buty\ carbamate 155 (200 mg, 0.73 mol) is suspended in water (1 mL) and treated with HBr (1 mL, 48 wt. percent in water). After stirring 16 h, the reaction mixture is poured onto aqueous NaHCOA solution of 2-amino-4-bromopyridine 1 -oxide (45mg, 0.24 mmol) in CH2CI2 (1 mL) was cooled in an ice bath and PBrthird step:Add water to the 50 liter reactor, sodium hydroxide, stir to reduce the temperature to 0 °, add bromine, drop the temperature to minus 10 degrees.Add the amide in batches and stir for one hour.Then heat to 80 degrees for one hour.The TCL was detected until the end of the reaction, and the temperature was lowered to room temperature and centrifuged to obtain a crude product which was crystallized from toluene to give a pure product of 1.5 kg.The ratio of each raw material in the third step of and the reaction conditions of the third step and the purity and yield of the obtained product are shown in Table 2.

Computed Properties

Molecular Weight:173.01
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:171.96361
Monoisotopic Mass:171.96361
Topological Polar Surface Area:38.9
Heavy Atom Count:8
Complexity:76.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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