Lot numbers can be found on the outside label of a product:
Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate
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CAS No. 94994-15-7
- Cat. No. CS-W022840
- Purity≥97%
- MDL No.MFCD14706160
*For research and further manufacturing use only, not for direct human use.
![Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate|CS-W022840](https://file.chemscene.com/productPIC/CS-W022840.gif)
Structure of 94994-15-7
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General Information
- CAS No. 94994-15-7
- Cat. No. CS-W022840
- Purity ≥97%
- MDL No. MFCD14706160
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₁₈O₃
- Molecular Weight 198.26
- Synonym(s) None
- SMILES O=C(OC)C12CCC(CO)(CC1)CC2
Description
Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate features a rigid bicyclic framework that imparts exceptional conformational stability, enabling precise spatial control in synthetic transformations. The pendant hydroxymethyl group offers a versatile handle for selective derivatization, while the ester functionality supports downstream functional group interconversion under standard conditions. This scaffold combines steric integrity with reactive accessibility, making it valuable in targeted synthesis and molecular design.
Application
Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate serves as a versatile synthetic building block for strained bicyclic frameworks, enabling efficient access to functionalized cyclohexane and cyclooctane derivatives. The hydroxymethyl group facilitates selective oxidation, protection, or derivatization, while the ester functionality supports subsequent transformations such as reduction or amidation. Its rigid bicyclo[2.2.2]octane core offers enhanced metabolic stability and conformational constraint, making it valuable in medicinal chemistry and target-oriented synthesis.
Synthesis
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Route1
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In-stock
![4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid|CS-W001270](https://file.chemscene.com/productPIC/CS-W001270.gif)
18720-35-9 - ~77%
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In-stock
94994-15-7
References
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Richard Baker; Hancox, Timothy C. Tetrahedron Letters, 1999 , vol. 40, # 4 p. 781 - 784
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Route2
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![Methyl 4-phenylbicyclo[2.2.2]Octane-1-carboxylate|CS-0501970](https://file.chemscene.com/productPIC/CS-0501970.gif)
23062-52-4 - ~%
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In-stock
94994-15-7
References
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Adcock, William; Kok, Gaik B. Journal of Organic Chemistry, 1985 , vol. 50, # 7 p. 1079 - 1087
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Route3
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![4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid|CS-0092262](https://file.chemscene.com/productPIC/CS-0092262.gif)
953-69-5 - ~%
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In-stock
94994-15-7
References
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Adcock, William; Kok, Gaik B. Journal of Organic Chemistry, 1985 , vol. 50, # 7 p. 1079 - 1087
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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 46.53
- LogP 1.4923
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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