Cas no 96706-46-6 (Dibenzob,dfuran-4-carbaldehyde)

Dibenzob,dfuran-4-carbaldehyde structure
96706-46-6 structure
Product Name:Dibenzob,dfuran-4-carbaldehyde
CAS No:96706-46-6
MF:C13H8O2
MW:196.20142364502
MDL:MFCD03306027
CID:810370
PubChem ID:253661242
Update Time:2024-10-25

Dibenzob,dfuran-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • Dibenzo[b,d]furan-4-carbaldehyde
    • 4-Dibenzofurancarboxaldehyde
    • dibenzofuran-4-carbaldehyde
    • Dibenzofuran-4-carboxaldehyde
    • dibenzo[b,d]furan-4-carbaldehyde(SALTDATA: FREE)
    • dibenzo[b,d]furan-4-carboxaldehyde
    • Dibenzofuran-4-carbaldehyd
    • ARONIS002356
    • Dibenzofuran-?4-?carboxaldehyde
    • GQYTWBPRZFRASB-UHFFFAOYSA-N
    • 4533AF
    • STK066355
    • VZ31741
    • ST035628
    • AK106667
    • BB0279521
    • AB0157989
    • D4771
    • AN-
    • ALBB-015093
    • CS-0135976
    • DB-027686
    • 8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene-6-carbaldehyde
    • DTXCID80164891
    • Dibenzofuran-4-carboxaldehyde, 97%
    • DTXSID20242400
    • SCHEMBL787917
    • AS-40184
    • EN300-7404283
    • 8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaene-6-carbaldehyde
    • DIBENZOFURAN-4-CARBOXALDEHYDE 97
    • 96706-46-6
    • AN-329/41529423
    • Z57206131
    • MFCD03306027
    • 8-OXATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2(7),3,5,10,12-HEXAENE-6-CARBALDEHYDE
    • AKOS000492164
    • Dibenzob,dfuran-4-carbaldehyde
    • MDL: MFCD03306027
    • Inchi: 1S/C13H8O2/c14-8-9-4-3-6-11-10-5-1-2-7-12(10)15-13(9)11/h1-8H
    • InChI Key: GQYTWBPRZFRASB-UHFFFAOYSA-N
    • SMILES: O=CC1C2OC3C(C=2C=CC=1)=CC=CC=3

Computed Properties

  • Exact Mass: 196.05200
  • Monoisotopic Mass: 196.052
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 251
  • 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: 3.1
  • Topological Polar Surface Area: 30.2

Experimental Properties

  • Density: 1.289±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 95.0 to 99.0 deg-C
  • Boiling Point: 360.5°Cat760mmHg
  • Flash Point: 170.2°C
  • Refractive Index: 1.734
  • Solubility: Insuluble (2.4E-4 g/L) (25 oC),
  • PSA: 30.21000
  • LogP: 3.39850
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

Dibenzob,dfuran-4-carbaldehyde Security Information

Dibenzob,dfuran-4-carbaldehyde 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%

Dibenzob,dfuran-4-carbaldehyde Pricemore >>

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abcr
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Dibenzob,dfuran-4-carbaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  -40 °C; 30 min, -40 °C
1.2 -40 °C; 2 h, -40 °C → rt; 6 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Dichloromethane ,  Water ;  acidified, rt
Reference
Dibenzo[b,d]furan derivatives as protein tyrosine phosphatase 1B inhibitors
, India, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  -40 °C; 30 min, -40 °C
1.2 2 h, -40 °C → 28 °C; 6 h, 28 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
Reference
Synthesis and evaluation of some novel dibenzo[b,d]furan carboxylic acids as potential anti-diabetic agents
Lakshminarayana, N.; Prasad, Y. Rajendra; Gharat, Laxmikant; Thomas, Abraham; Narayanan, Shridhar; et al, European Journal of Medicinal Chemistry, 2010, 45(9), 3709-3718

Production Method 3

Reaction Conditions
1.1 Reagents: Oxygen Catalysts: 1,2,3,4-Tetrahydroquinoline Solvents: Acetonitrile ;  24 - 36 h, rt
Reference
Synthesis of Aldehydes by Organocatalytic Formylation Reactions of Boronic Acids with Glyoxylic Acid
Huang, He; Yu, Chenguang; Li, Xiangmin; Zhang, Yongqiang; Zhang, Yueteng; et al, Angewandte Chemie, 2017, 56(28), 8201-8205

Production Method 4

Reaction Conditions
Reference
Conformationally restricted diamines as spacers for parallel β-sheet formation
Skar, Merete L.; Svendsen, John S., Tetrahedron, 1997, 53(51), 17425-17440

Production Method 5

Reaction Conditions
Reference
4-Heterotricyclic substituted 1,4-dihydropyridines with a potent selective bradycardic effect
Rampa, A.; Chiarini, A.; Bisi, A.; Budriesi, R.; Valenti, P., Arzneimittel-Forschung, 1991, 41(7), 705-9

Production Method 6

Reaction Conditions
1.1 Reagents: sec-Butyllithium
1.2 -
Reference
Dibenzofuran
Aspin, Samuel J., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2015, , 1-3

Production Method 7

Reaction Conditions
1.1 Reagents: Potassium carbonate ,  Potassium ferricyanide Catalysts: Dipotassium osmate Solvents: Acetonitrile ,  Water ;  rt → 60 °C; 4 h, 60 °C
1.2 Reagents: Sodium sulfite Solvents: Water
Reference
An expedient osmium(VI)/K3Fe(CN)6-mediated selective oxidation of benzylic, allylic and propargylic alcohols
Fernandes, Rodney A.; Bethi, Venkati, RSC Advances, 2014, 4(76), 40561-40568

Production Method 8

Reaction Conditions
1.1 Reagents: Potassium methoxide ,  Hexamethyldisilane Catalysts: Magnesium triflate Solvents: Dimethylformamide ;  rt; 4 h, rt
1.2 Solvents: Water ;  rt
Reference
Potassium methoxide/disilane-mediated formylation of aryl iodides with DMF at room temperature
Wang, Haiyang; Tong, Xiaogang; Huo, Yanman; Tang, Jiaying; Xia, Chengfeng, Organic Chemistry Frontiers, 2020, 7(24), 4074-4079

Production Method 9

Reaction Conditions
1.1 Reagents: Butyllithium ;  -78 °C
Reference
Insights into the Morita-Baylis-Hillman reaction of isomeric dibenzofuran carbaldehydes: a theoretical and mass spectral study
Yempala, Thirumal; Davalgar, Vijay Darshan; Gayatri, Gaddamanugu; Sripadi, Prabhakar; Kantevari, Srinivas, RSC Advances, 2015, 5(120), 99133-99142

Production Method 10

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Heptane ;  0 °C; 30 min, -78 °C
1.2 -78 °C; -78 °C → rt; 2 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 1, rt
Reference
Preparation of aromatic heterocyclic compounds, organic semiconductor materials, films, and semiconductor devices
, Japan, , ,

Production Method 11

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Heptane ;  0 °C; 30 min, -78 °C
1.2 -78 °C; -78 °C → rt; 2 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 1
Reference
Aromatic heterocyclic compound, manufacturing method thereof, organic semiconductor material, and organic semiconductor device
, World Intellectual Property Organization, , ,

Production Method 12

Reaction Conditions
1.1 Reagents: sec-Butyllithium Solvents: Diethyl ether ,  Hexane ;  -65 °C; 30 min, rt; 1 h, rt
1.2 rt → -65 °C; -65 °C; -65 °C → rt; 2 h, rt
Reference
Aromatic amine derivative for organic electroluminescent device
, World Intellectual Property Organization, , ,

Production Method 13

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  30 min, 5 °C; 1 h, 5 °C
1.2 20 min, rt
1.3 Reagents: Sodium chloride Solvents: Water ;  rt
Reference
Preparation of dibenzofuranylmethyl and benzodioxinylmethyl thioacetamides as well as analogs for use in the treatment of sleep disorders and related diseases
, World Intellectual Property Organization, , ,

Production Method 14

Reaction Conditions
Reference
Preparation of dibenzofuranylmethyl and benzodioxinylmethyl thioacetamides as well as analogs for use in the treatment of sleep disorders and related diseases
, European Patent Organization, , ,

Production Method 15

Reaction Conditions
1.1 Reagents: sec-Butyllithium Solvents: Diethyl ether ,  Hexane ,  Cyclohexane
1.2 Reagents: sec-Butyllithium
1.3 -
Reference
One-pot synthesis of dissymmetrical 4,6-disubstituted dibenzofurans
Jean, Fabienne; Melnyk, Oleg; Tartar, Andre, Tetrahedron Letters, 1995, 36(42), 7657-60

Dibenzob,dfuran-4-carbaldehyde Raw materials

Dibenzob,dfuran-4-carbaldehyde Preparation Products

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