Cas no 95333-14-5 (Benzofuran-7-carbaldehyde)

Benzofuran-7-carbaldehyde structure
Benzofuran-7-carbaldehyde structure
Product Name:Benzofuran-7-carbaldehyde
CAS No:95333-14-5
MF:C9H6O2
MW:146.14274263382
MDL:MFCD08272125
CID:799358
PubChem ID:11126406
Update Time:2024-10-25

Benzofuran-7-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 7-Benzofurancarboxaldehyde
    • 1-BENZOFURAN-7-CARBALDEHYDE
    • 7-Benzofurancarboxaldehyde (9CI)
    • Benzo[b]furan-7-carboxaldehyde
    • Benzofuran-7-carbaldehyde
    • 7-benzofurancarbaldehyde
    • 7-formylbenzofuran
    • benzo[b]furan-7-carbaldehyde
    • benzofur-7-carboxaldehyde
    • Benzofuran-7-carboxaldehyde
    • indole-7-carboxaldehyde
    • 7-benzo[b]furancarbaldehyde
    • RGPUSZZTRKTMNA-UHFFFAOYSA-N
    • SBB086468
    • 6527AJ
    • SY024200
    • AM806857
    • MFCD08272125
    • EN300-246686
    • Z1198176767
    • SCHEMBL1802080
    • 95333-14-5
    • DTXSID90456072
    • VDA33314
    • AKOS006229516
    • CS-11539
    • MDL: MFCD08272125
    • Inchi: 1S/C9H6O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-6H
    • InChI Key: RGPUSZZTRKTMNA-UHFFFAOYSA-N
    • SMILES: O=CC1C2=C(C=CO2)C=CC=1

Computed Properties

  • Exact Mass: 146.03700
  • Monoisotopic Mass: 146.036779430g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 156
  • 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
  • XLogP3: 1.8
  • Topological Polar Surface Area: 30.2

Experimental Properties

  • Density: 1.238
  • Boiling Point: 251.549°C at 760 mmHg
  • Flash Point: 110.192°C
  • Refractive Index: 1.652
  • PSA: 30.21000
  • LogP: 2.24530

Benzofuran-7-carbaldehyde Pricemore >>

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Benzofuran-7-carbaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Dimethyl sulfoxide ,  Oxalyl chloride Solvents: Dichloromethane ;  -78 °C; 30 min, -78 °C
1.2 Reagents: Triethylamine ;  -78 °C
Reference
Preparation of benzofuran and dihydrobenzofuran melatonergic agents
, United States, , ,

Production Method 2

Reaction Conditions
Reference
Preparation of tricyclic lactam compounds as glucose transport enhancers
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
Reference
Process for the preparation of symmetrical 4-(7'-benzofuryl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates useful as calcium channel blockers and antihypertensives
, Spain, , ,

Production Method 4

Reaction Conditions
Reference
Conformational analysis of organic carbonyl compounds. Part 4. A proton and carbon-13 nuclear magnetic resonance study of formyl and acetyl derivatives of benzo[b]furan
Benassi, Rois; Folli, Ugo; Iarossi, Dario; Schenetti, Luisa; Taddei, Ferdinando, Journal of the Chemical Society, 1984, (9), 1479-85

Production Method 5

Reaction Conditions
1.1 Reagents: Dimethyl sulfoxide ,  Oxalyl chloride Solvents: Dichloromethane ;  30 min, -78 °C
1.2 Reagents: Triethylamine ;  -78 °C; -78 °C → rt
Reference
Preparation of N-acyl-2-arylcyclopropylmethylamines as melatonergics
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Magnesium Catalysts: 1,2-Dibromoethane Solvents: Tetrahydrofuran ;  rt → reflux; 90 min, reflux; reflux → 0 °C
1.2 30 min, rt
1.3 Reagents: Monopotassium phosphate Solvents: Water ;  rt
Reference
Synthesis and pharmacological evaluation of N-benzyl substituted 4-bromo-2,5-dimethoxyphenethylamines as 5-HT2A/2C partial agonists
Hansen, Martin; Jacobsen, Stine Engesgaard; Plunkett, Shane; Liebscher, Gudrun Eckhard; McCorvy, John D.; et al, Bioorganic & Medicinal Chemistry, 2015, 23(14), 3933-3937

Production Method 7

Reaction Conditions
1.1 Catalysts: Grubbs second generation catalyst Solvents: Toluene ;  3 h, 90 °C
Reference
An isomerization-ring-closing metathesis strategy for the synthesis of substituted benzofurans
van Otterlo, Willem A. L.; Morgans, Garreth L.; Madeley, Lee G.; Kuzvidza, Samuel; Moleele, Simon S.; et al, Tetrahedron, 2005, 61(32), 7746-7755

Production Method 8

Reaction Conditions
1.1 Reagents: Magnesium Solvents: Tetrahydrofuran ;  rt → 50 °C; 30 min, reflux
1.2 Solvents: Tetrahydrofuran ;  25 °C; -78 °C; 1 h, 0 °C
1.3 Reagents: Ammonium chloride Solvents: Water
Reference
Preparation of 3-(indol-3-yl) 4-heteroaryl substituted pyrrole-2,5-diones as GSK-3β inhibitors
, World Intellectual Property Organization, , ,

Production Method 9

Reaction Conditions
Reference
2-(Aminoethyl)benzofuran derivatives, preparation thereof, and therapeutic use as smooth muscle contractants
, World Intellectual Property Organization, , ,

Production Method 10

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  -78 °C
1.2 -78 °C; 2 h, -78 °C
1.3 Solvents: Water ;  -78 °C
Reference
Spiro-oxadiazoline compounds as agonists of α-7-nicotinic acetylcholine receptors and their preparation
, World Intellectual Property Organization, , ,

Benzofuran-7-carbaldehyde Raw materials

Benzofuran-7-carbaldehyde Preparation Products

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