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2-Bromoquinoline

2-Bromoquinoline structure

CAS No:
2005-43-8
Formula:
C9H6BrN
Chemical Name:
2-Bromoquinoline
Synonyms:
2-BROMOQUINOLINE;QUINOLINE,2-BROMO-;2-BROMOQUINOLINE98%;2-Bromoquinoline,96%;2-Bromoquinoline,97%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White powder

2-Bromoquinoline Basic Attributes

Molecular Weight：

208.05

Exact Mass：

206.968353

DSSTox ID：

DTXSID90376423

HScode：

2933499090

Characteristics

PSA：

12.9

XLogP3：

2.8

Density：

1.6±0.1 g/cm3

Melting Point：

48-49 C

Boiling Point：

115°C/0.3mmHg(lit.)

Flash Point：

>110℃

Refractive Index：

1.674

Vapor Pressure：

0.00319mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38-41-37/38-22

safety instructions：

26-36-39-22

Marks：

Xi,Xn

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (84.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromoquinoline Use and Manufacturing

Ina flask (50 mL) equipped with a magnetic stirrer bar and a balloon, a mixture of triphenylphosphine (1186mg, 4.52 mmol) and dibromoisocyanuric acid (652 mg, 2.27 mmol) was heated under an argonatmosphere. Dibromoisocyanuric acid vigorously reacted at 115 °C, and the mixture heated for anadditional 10 min. 1-Methylquinolin-2(1H)-one (239 mg, 1.50 mmol) was added to the mixture, whichwas heated at 160-170 °C for 16 h. Then, the reaction mixture was dissolved in CH2Cl2 and basified withtriethylamine, followed by separation using silica gel column chromatography. The use of hexane-EtOAc(6:1) as an eluate resulted in isolation of 2-bromoquinoline (244 mg, 78percent).2-Bromoquinoline:19 yellow oil. 1H-NMR (CDCl3) δ: 7.51 (1H, d, J=8.4 Hz), 7.51-8.20 (4H, m), 7.98(1H, d, J=8.4 Hz).General procedure: To a stirred solution of the appropriate azine N-oxides in anhydrous CHTo a 100 mL flask equipped with a magnetic stir bar, 2a (272.1 mg, 1 mmol, 1 equiv) with 40percent hydrobromic acid (20 mL) were added and refluxed for 4 h. Then the reaction mixture was diluted with EtOAc (20 mL). The organic extracts were washed with water (3 x 30 mL), followed by saturated brine (3 x 30 mL). The organic layer was dried over anhydrous NaWeighing quinoline-2-carboxylic acid (51.9 mg, 0.3 mmol), Sodium carbonate (64.0 mg, 0.6 mmol), NaBr (17.6 mg, 0.3 mmol), tert-butyl hypochlorite (32 μL, 0.3 mmol) into a 25 mL of Schlenk reaction bottle, Then CH2Br2 (2 mL) was added and placed in a 60 °C oil bath for 20 h. After completion of the reaction, the solvent was removed under reduced pressure and eluted with petroleum ether / ethyl acetate.The solvent was separated on a silica gel column, he yield of 2-bromoquinoline was 75percent.

Computed Properties

Molecular Weight:208.05
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Exact Mass:206.96836
Monoisotopic Mass:206.96836
Topological Polar Surface Area:12.9
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethanol

Acetic acid

Hydrochloric acid

Hydrogen peroxide

Phosphorus tribromide

Recommended Suppliers of 2-Bromoquinoline

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

2-Bromoquinoline

CAS No.: 2005-43-8

Content: 99.00%

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Tianjin Jinshu Technology Co., Ltd. Contact Supplier

CN
3 YRS

Business licensed

Distributor Supplier of peptone

Factory direct sale 2-Bromoquinoline human with Safe Delivery

CAS No.: 2005-43-8

Grade: Industrial Grade

Content: 99%

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