ChemicalBook--->CAS DataBase List--->84102-69-2

84102-69-2

84102-69-2 Structure

84102-69-2 Structure
IdentificationBack Directory
[Name]

ETHYL(5-BROMOBENZOFURAN)-2-CARBOXYLATE
[CAS]

84102-69-2
[Synonyms]

AURORA 22531
5-broMobenzofuran-2-carboxylate
5-bromo-1-benzofuran-2-carboxyL
ETHYL(5-BROMOBENZOFURAN)-2-CARBOXYLATE
Ethyl(5-bromobenzofurane)-2-carboxylate
5-Bromo-2-(ethoxycarbonyl)-1-benzofuran
Ethyl 5-bromobenzo[b]furan-2-carboxylate
ETHYL 5-BROMO-1-BENZOFURAN-2-CARBOXYLATE
ETHYL-5-BROMO-BENZENZOFURAN-2-CARBOXYLATE
5-Bromo-benzofuran-2-carboxylic acid ethyl ester
2-Benzofurancarboxylic acid, 5-bromo-, ethyl ester
N-[(E)-(4-fluorophenyl)methylideneamino]-2-[[1-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]thio]propanamide
[Molecular Formula]

C11H9BrO3
[MDL Number]

MFCD02667598
[MOL File]

84102-69-2.mol
[Molecular Weight]

269.09
Chemical PropertiesBack Directory
[Melting point ]

60-62°
[Boiling point ]

328.3±22.0 °C(Predicted)
[density ]

1.520±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C11H9BrO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3
[InChIKey]

XLJWAHXKBCDQNP-UHFFFAOYSA-N
[SMILES]

O1C2=CC=C(Br)C=C2C=C1C(OCC)=O
[CAS DataBase Reference]

84102-69-2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H335-H302+H312+H332-H315
[Precautionary statements ]

P280-P301+P312-P304+P340
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2932990090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Sodium-->Sodium carbonate-->Sodium iodide-->Ethyl bromoacetate-->5-Bromosalicylaldehyde-->Phenol, 4-bromo-2-(2,2-dibromoethenyl)--->5-BROMO-1-BENZOFURAN-2-CARBOXYLIC ACID-->AKOS B005891-->dibromoacetylene-->Ethanol-->Salicylaldehyde-->DIETHYL BROMOMALONATE-->2-Butanone
Hazard InformationBack Directory
[Uses]

Ethyl 5-bromobenzofuran-2-carboxylate
[Synthesis]

Ethyl bromoacetate

105-36-2

5-Bromosalicylaldehyde

1761-61-1

ETHYL(5-BROMOBENZOFURAN)-2-CARBOXYLATE

84102-69-2

5-Bromosalicylaldehyde (5 g, 25 mmol, 1.0 eq.) and cesium carbonate (8.2 g, 25 mmol, 1.0 eq.) were dissolved in 80 ml of DMF and stirred well. Subsequently, ethyl bromoacetate (8.3 g, 50 mmol, 2.0 eq.) was slowly added to the reaction system. The reaction mixture was stirred at room temperature for 30 min. After that, the reaction temperature was increased to 120 °C for 2 hours. The reaction progress was monitored by TLC. After completion of the reaction, the mixture was cooled to room temperature and poured into ice water and stirred vigorously for 30 minutes. The precipitate was collected by filtration, the filter cake was washed with water and dried to give the yellow powdery solid product ethyl 5-bromobenzofuran-2-carboxylate (4 g, 59.7% yield).

[References]

[1] Patent: CN106478564, 2017, A. Location in patent: Paragraph 0216; 0217; 0218
[2] Patent: CN107383024, 2017, A. Location in patent: Paragraph 0473
[3] Patent: US2004/209865, 2004, A1
[4] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 20, p. 5591 - 5593
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL(5-BROMOBENZOFURAN)-2-CARBOXYLATE(84102-69-2)1HNMR
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