Lot numbers can be found on the outside label of a product:
Benzofuran-3-carbaldehyde
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CAS No. 4687-25-6
- Cat. No. CS-W004801
- Purity≥95%
- MDL No.MFCD03412541
*For research and further manufacturing use only, not for direct human use.
Structure of 4687-25-6
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General Information
- CAS No. 4687-25-6
- Cat. No. CS-W004801
- Purity ≥95%
- MDL No. MFCD03412541
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₆O₂
- Molecular Weight 146.14
- Synonym(s) None
- SMILES O=CC1=COC2=CC=CC=C12
Description
Benzofuran-3-carbaldehyde features a rigid, planar heterocyclic core with a reactive aldehyde group at the 3-position, enabling direct incorporation into diverse synthetic scaffolds. This electron-deficient carbonyl moiety facilitates nucleophilic addition and condensation reactions under mild conditions, serving as a key building block in pharmaceutical and agrochemical synthesis.
Application
Benzofuran-3-carbaldehyde serves as a versatile building block in synthetic organic chemistry, enabling direct functionalization at the aldehyde position for subsequent transformations including reductive amination, Grignard additions, and Wittig reactions. Its fused heterocyclic structure provides inherent stability and facilitates incorporation into pharmaceutical scaffolds, offering predictable reactivity in standard bench-scale syntheses.
Synthesis
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Route1
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In-stock
21535-97-7 - ~90%
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In-stock
4687-25-6
References
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Ando, Kumiko; Kawamura, Yoko; Akai, Yukiko; Kunitomo, Jun-Ichi; Yokomizo, Takehiko; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka Organic and Biomolecular Chemistry, 2008 , vol. 6, # 2 p. 296 - 307
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Route2
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In-stock
21535-97-7
- ~89%
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4687-23-4 -
In-stock
4687-25-6
References
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Pedras, M. Soledade C.; Hossain, Mohammad Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 17 p. 5981 - 5996
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Route3
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4687-23-4
- ~50%
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In-stock
4687-25-6
References
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Bonnet, B.Eatrice; Soullez, David; Girault, Sophie; Maes, Louis; Landry, Valerie; Davioud-Charvet, Elisabeth; Sergheraert, Christian Bioorganic and Medicinal Chemistry, 2000 , vol. 8, # 1 p. 95 - 103
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 30.21
- LogP 2.2453
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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