Cas no 84102-69-2 (Ethyl 5-bromobenzofuran-2-carboxylate)

Ethyl 5-bromobenzofuran-2-carboxylate structure
84102-69-2 structure
Product Name:Ethyl 5-bromobenzofuran-2-carboxylate
CAS No:84102-69-2
MF:C11H9BrO3
MW:269.091362714767
MDL:MFCD02667598
CID:720587
PubChem ID:735184
Update Time:2024-10-26

Ethyl 5-bromobenzofuran-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-bromobenzofuran-2-carboxylate
    • 2-Benzofurancarboxylicacid, 5-bromo-, ethyl ester
    • Ethyl (5-bromobenzofuran)-2-carboxylate
    • Ethyl 5-bromo-1-benzofuran-2-carboxylate
    • Ethyl(5-bromobenzofuran)-2-carboxylate
    • 5-Bromo-benzofuran-2-carboxylic acid ethyl ester
    • XLJWAHXKBCDQNP-UHFFFAOYSA-N
    • Ethyl5-bromobenzofuran-2-carboxylate
    • STL477789
    • Ethyl 5-bromo-2-benzofurancarboxylate
    • CM10768
    • VZ32234
    • Ethyl 5-bromo-benzofuran-2-carb
    • 5-Bromobenzofuran-2-carboxylic acid ethyl ester
    • Ethyl 5-bromobenzo[b]furan-2-carboxylate
    • 5-Bromo-2-(ethoxycarbonyl)-1-benzofuran
    • Ethyl 5-bromo-benzofuran-2-carboxylate
    • 84102-69-2
    • 2Y-0815
    • SCHEMBL2084419
    • CS-0129915
    • J-521116
    • XH0867
    • MFCD02667598
    • F3099-5815
    • C11H9BrO3
    • DTXSID30352746
    • DB-017723
    • AKOS002251253
    • MDL: MFCD02667598
    • Inchi: 1S/C11H9BrO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3
    • InChI Key: XLJWAHXKBCDQNP-UHFFFAOYSA-N
    • SMILES: O=C(C1=CC2C(=CC=C(C=2)Br)O1)OCC

Computed Properties

  • Exact Mass: 267.97400
  • Monoisotopic Mass: 267.974
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 244
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 39.4
  • XLogP3: 3.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.6±0.1 g/cm3
  • Melting Point: 60-62°
  • Boiling Point: 328.3°C at 760 mmHg
  • Flash Point: 144.1±22.3 °C
  • Refractive Index: 1.599
  • PSA: 39.44000
  • LogP: 3.37200
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Ethyl 5-bromobenzofuran-2-carboxylate Security Information

Ethyl 5-bromobenzofuran-2-carboxylate Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Ethyl 5-bromobenzofuran-2-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Tetrabutylammonium bromide Solvents: Toluene ;  rt; rt → reflux; 20 h, reflux
1.2 Reagents: Water ;  15 min, rt
Reference
Synthesis of vilazodone hydrochloride
Wang, Qifa; Cheng, Qingfang; Chen, Na; Zheng, Guochuang; Shuai, Mei, Zhongguo Yiyao Gongye Zazhi, 2013, 44(1), 3-5

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetone ;  10 h, reflux
1.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified, cooled
Reference
Synthesis, characterization and antimicrobial screening of 5-bromo-benzofuranyl aryl triazoles
Kumari, H. M. Naveena; Mathada, Manjunatha Harihara; Hugar, Shivakumar; Basavaraja, K. M., Journal of Applicable Chemistry (Lumami, 2019, 8(4), 1704-1710

Production Method 3

Reaction Conditions
1.1 Catalysts: 2,8,9-Trimethyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane Solvents: Ethanol
Reference
P(MeNCH2CH2)3N: an efficient catalyst for the synthesis of substituted ethyl benzofuran-2-carboxylates
D'Sa, Bosco A.; Kisanga, Philip; Verkade, John G., Synlett, 2001, (5), 670-672

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium ethoxide Solvents: Ethanol ;  70 °C
Reference
Synthesis and SAR of highly selective MMP-13 inhibitors
Li, Jianchang; Rush, Thomas S.; Li, Wei; DeVincentis, Dianne; Du, Xuemei; et al, Bioorganic & Medicinal Chemistry Letters, 2005, 15(22), 4961-4966

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium carbonate ,  Tetrabutylammonium bromide Solvents: Toluene ;  rt; 20 h, reflux
1.2 Solvents: Water ;  15 min, rt
Reference
Improved method for synthesis of vilazodone hydrochloride
Cheng, Qing-fang; Wang, Qi-fa; Qiu, Feng; Tang, Jian-ping; Liao, Yun-peng, Zhongguo Xinyao Zazhi, 2013, 22(2), 226-229

Production Method 6

Reaction Conditions
1.1 Reagents: Triethylamine Catalysts: 2,2′-Bipyridine ,  Copper bromide (CuBr2) ;  8 h, 90 °C
Reference
Tandem Synthesis of 2-Carboxybenzofurans via Sequential Cu-Catalyzed C-O Coupling and Mo(CO)6-Mediated Carbonylation Reactions
Mo, Qinliang; Sun, Nan ; Jin, Liqun ; Hu, Baoxiang; Shen, Zhenlu ; et al, Journal of Organic Chemistry, 2020, 85(17), 11490-11500

Production Method 7

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  4 h, 92 - 94 °C
Reference
Synthesis of new benzofuran-2-carboxylic acid derivatives
Kowalewska, M.; Kwiecien, H.; Smist, M.; Wrzesniewska, A., Journal of Chemistry, 2013, 183717,

Production Method 8

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  1.5 h, reflux
Reference
Aminostyrylbenzofuran derivatives as potent inhibitors for Aβ fibril formation
Byun, Ji Hun; Kim, HyeYun; Kim, YoungSoo; Mook-Jung, Inhee; Kim, Dong Jin; et al, Bioorganic & Medicinal Chemistry Letters, 2008, 18(20), 5591-5593

Ethyl 5-bromobenzofuran-2-carboxylate Raw materials

Ethyl 5-bromobenzofuran-2-carboxylate Preparation Products

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