Lot numbers can be found on the outside label of a product:
tert-Butyl cyclopropanecarboxylate
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CAS No. 87661-20-9
- Cat. No. CS-0044361
- Purity≥98%
- MDL No.MFCD09836696
*For research and further manufacturing use only, not for direct human use.
Structure of 87661-20-9
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General Information
- CAS No. 87661-20-9
- Cat. No. CS-0044361
- Purity ≥98%
- MDL No. MFCD09836696
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₄O₂
- Molecular Weight 142.20
- Synonym(s) Cyclopropanecarboxylic acid, 1,1-dimethylethyl ester
- SMILES O=C(C1CC1)OC(C)(C)C
Description
tert-Butyl cyclopropanecarboxylate features a strained cyclopropyl ring fused to a tert-butyl ester, delivering high reactivity in asymmetric synthesis. The rigid, electron-rich carbocycle enables precise stereocontrol in transition-metal-catalyzed transformations, while the bulky ester group enhances solubility and stability under standard conditions.
Application
tert-Butyl cyclopropanecarboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to cyclopropyl-containing scaffolds. Its stability under standard reaction conditions and compatibility with diverse transformations—such as nucleophilic additions, metal-catalyzed couplings, and functional group interconversions—facilitates streamlined synthesis of biologically relevant motifs. The tert-butyl ester moiety allows for straightforward deprotection under mild acidic conditions, enhancing utility in multi-step sequences.
Synthesis
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Route1
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In-stock
865-47-4 -
4023-34-1 - ~90%
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In-stock
87661-20-9
References
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Aebi, Johannes; Binggeli, Alfred; Green, Luke; Hartmann, Guido; Maerki, Hans P.; Mattei, Patrizio; Ricklin, Fabienne; Roche, Olivier Patent: US2010/16282 A1, 2010 ; Location in patent: Page/Page column 19 ;
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Route2
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75-65-0
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In-stock
1759-53-1 - ~59%
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In-stock
87661-20-9
References
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KAREUS THERAPEUTICS, SA Patent: US2012/71528 A1, 2012 ; Location in patent: Page/Page column 11-12 ;
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Route3
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866463-77-6
- ~82%
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In-stock
87661-20-9
References
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DAIICHI PHARMACEUTICAL CO., LTD. Patent: EP1731499 A1, 2006 ; Location in patent: Page/Page column 14 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS02
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Signal Word : Danger
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UN#: 1993
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Class : 3
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Packing Group : Ⅲ
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Hazard Statements : H226
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Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 1.7381
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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