Lot numbers can be found on the outside label of a product:
1-(4-Bromophenyl)-2-phenylethanone
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CAS No. 2001-29-8
- Cat. No. CS-0156335
- Purity≥97%
- MDL No.MFCD00016331
*For research and further manufacturing use only, not for direct human use.
Structure of 2001-29-8
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General Information
- CAS No. 2001-29-8
- Cat. No. CS-0156335
- Purity ≥97%
- MDL No. MFCD00016331
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₄H₁₁BrO
- Molecular Weight 275.14
- Synonym(s) Benzyl 4-bromophenyl ketone
- SMILES C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br
Description
1-(4-Bromophenyl)-2-phenylethanone features a brominated aryl ring paired with a conjugated ketone, enabling direct incorporation into cross-coupling reactions. This electron-deficient benzoyl moiety integrates readily into pharmaceutical intermediates and functional materials, offering enhanced reactivity under standard conditions.
Application
1-(4-Bromophenyl)-2-phenylethanone serves as a versatile building block in cross-coupling chemistry, enabling efficient Suzuki and Stille reactions due to its stable aryl bromide functionality. The ketone group provides a handle for further functionalization, including enolate derivatization and nucleophilic addition. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical choice for constructing biaryl scaffolds and complex heterocycles in medicinal chemistry and materials synthesis.
Synthesis
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Route1
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108-86-1 -
103-80-0
- ~55%
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In-stock
2001-29-8
References
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Karimi, Lila; Navidpour, Latifeh; Amini, Mohsen; Shafiee, Abbas Phosphorus, Sulfur and Silicon and the Related Elements, 2005 , vol. 180, # 7 p. 1593 - 1600
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Route2
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100-44-7
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586-75-4
- ~83%
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In-stock
2001-29-8
References
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Kim, Seung-Hoi; Rieke, Reuben D. Journal of Organic Chemistry, 2000 , vol. 65, # 8 p. 2322 - 2330
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Route3
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7677-24-9
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100-39-0
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In-stock
1122-91-4 - ~77%
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In-stock
2001-29-8
References
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G. D. Searle and Co. Patent: US5859257 A1, 1999 ;
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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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 17.07
- LogP 3.8745
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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