Lot numbers can be found on the outside label of a product:
5,6-Dimethoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one
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CAS No. 4136-26-9
- Cat. No. CS-0153800
- Purity≥96%
- MDL No.MFCD18072919
*For research and further manufacturing use only, not for direct human use.
Structure of 4136-26-9
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General Information
- CAS No. 4136-26-9
- Cat. No. CS-0153800
- Purity ≥96%
- MDL No. MFCD18072919
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₃H₁₆O₃
- Molecular Weight 220.26
- Synonym(s) 5,6-dimethoxy-3,3-dimethyl-2H-inden-1-one
- SMILES CC1(C)CC(=O)C2=CC(=C(C=C21)OC)OC
Description
5,6-Dimethoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one features a sterically hindered indanone core with two methoxy groups at the 5,6-positions, enhancing solubility and electronic modulation. This bench-stable ketone serves as a key building block in synthetic organic chemistry, particularly for constructing complex heterocycles and natural product analogs under mild reaction conditions.
Application
5,6-Dimethoxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one serves as a versatile building block in medicinal chemistry, offering a rigid, electron-rich indenone scaffold with orthogonal functional handles. The dimethoxy substitution enhances solubility and modulates electronic properties, while the 3,3-dimethyl group provides steric protection and metabolic stability. This compound facilitates efficient access to complex heterocyclic systems and functions effectively in palladium-catalyzed coupling reactions, enabling streamlined synthesis of bioactive molecules.
Synthesis
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Route1
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51458-29-8 - ~77%
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In-stock
4136-26-9
References
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Kowa Co., Ltd. Patent: US6340682 B1, 2002 ; Location in patent: Page column 43-44 ;
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Route2
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91-16-7 -
In-stock
541-47-9 - ~90%
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In-stock
4136-26-9
References
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Kraft, Philip; Eichenberger, Walter European Journal of Organic Chemistry, 2003 , # 19 p. 3735 - 3743
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Route3
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83923-91-5
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74-88-4
- ~87%
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In-stock
4136-26-9
References
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Anastasis, Panayiotis; Brown, Philip E. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1982 , # 9 p. 2013 - 2018
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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 35.53
- LogP 2.5678
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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