Cas no 213316-49-5 ((1R,2S)-1-(tert-Butoxy)carbonylamino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester)
(1R,2S)-1-(tert-Butoxy)carbonylamino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- (1R,2S)-rel-Ethyl 1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylate
- (1R,2S)-ethyl1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylate
- (1R,2S)-1-BOC-AMINO-2-VINYLCYCLOPROPANECARBOXYL IC ACID ETHYL ESTER
- Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, ethyl ester, (1R,2S)-rel-
- (1R,2S)-1-BOC-AMINO-2-VINYLCYCLOPROPANECARBOXYLIC ACID ETHYL ESTER
- AC-5306
- AKOS015900767
- (1R,2S)N-Boc-1-amino-2-vinylcyclopropane carboxylic acid ethyl ester
- ethyl (1R,2S)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropane-1-carboxylate
- (1R,2S) N-Boc-1 -amino-2-vinylcyclopropanecarboxylic acid ethyl ester
- AKOS015843308
- 213316-49-5
- (1R,2S)N-Boc-1-amino-2-vinylcyclopropanecarboxylic acid ethyl ester
- Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, ethyl ester, (1R,2S)-
- ETHYL (1R,2S)-1-[(TERT-BUTOXYCARBONYL)AMINO]-2-ETHENYLCYCLOPROPANE-1-CARBOXYLATE
- (1R,2S)-1-[[(tert-Butoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic acid ethyl ester
- (1R,2 S) N-Boc-1-amino-2-vinylcyclopropanecarboxylic acid ethyl ester
- J-500323
- Ethyl 1(R)-tert-butoxycarbonylamino-2(S)-vinylcyclopropanecarboxylate
- (1R,2S)-1-tert-butoxycarbonylamino-2-vinyl-cyclopropanecarboxylic acid ethyl ester
- AM807713
- A847968
- cyclopropanecarboxylic acid,1-((1,1-dimethylethoxy)carbonylamino)-2-ethenyl-,ethyl ester,(1r,2s)-
- 259217-95-3
- Cyclopropanecarboxylic acid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-,ethyl ester,(1R,2S)-
- A911544
- CS-B0183
- E80386
- SCHEMBL329900
- Ethyl (1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
- CS-D0619
- Ethyl (1R,2S)-1-(tert-butoxycarbonylamino)-2-vinyl-cyclopropane-1-carboxylate
- (1R,2S) N-Boc-1-amino-2-vinylcyclopropanecarboxylic acid ethyl ester
- MUWAMLYKLZSGPE-NOZJJQNGSA-N
- N-BOC (1R,2S)-1-amino-2-vinylcyclopropanecarbox-ylic acid ethyl ester
- (1R,2S)-ETHYL 1-(BOC-AMINO)-2-VINYLCYCLOPROPANECARBOXYLATE
- N-BOC-(1R,2 S)-1-amino-2-vinylcyclopropanecarboxylic acid ethyl ester
- N-BOC-(1R,2S)-1-amino-2-vinylcyclopropanecarboxylic acid ethyl ester
- (1R,2S)-rel-Ethyl1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylate
- (1R,2S) Boc-Amino-2-Vinylcyclopropane-Oet
- AC-22420
- 1(R)-tert-butoxycarbonylamino-2(S)-vinyl-cyclopropanecarboxylic acid ethyl ester
- (1R,2S)-Ethyl 1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylate
- (1R,2S)-Ethyl 1-(tert-butoxycarbonylamino)-2-vinylcyclopropanecarboxylate
- MFCD06795881
- DS-3850
- Ethyl 1-{[tert-butoxy(hydroxy)methylidene]amino}-2-ethenylcyclopropane-1-carboxylate
- DTXSID90943891
- (1R,2S)-1-(tert-Butoxy)carbonylamino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester
-
- MDL: MFCD06795881
- Inchi: 1S/C13H21NO4/c1-6-9-8-13(9,10(15)17-7-2)14-11(16)18-12(3,4)5/h6,9H,1,7-8H2,2-5H3,(H,14,16)/t9-,13-/m1/s1
- InChI Key: MUWAMLYKLZSGPE-NOZJJQNGSA-N
- SMILES: O(CC)C([C@]1(C[C@H]1C=C)NC(=O)OC(C)(C)C)=O
Computed Properties
- Exact Mass: 255.14713
- Monoisotopic Mass: 255.14705815g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 359
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- Color/Form: Pale-yellow to Yellow-brown Liquid
- Density: 1.08
- Boiling Point: 328.42 °C at 760 mmHg
- Flash Point: 328.42 °C at 760 mmHg
- PSA: 64.63
- LogP: 2.40980
(1R,2S)-1-(tert-Butoxy)carbonylamino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester Security Information
- Signal Word:Warning
- Hazard Statement: H302
- Warning Statement: P264;P270;P301+P312;P330
- Storage Condition:2-8 °C
(1R,2S)-1-(tert-Butoxy)carbonylamino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester Pricemore >>
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(1R,2S)-1-BOC-AMINO-2-VINYLCYCLOPROPANECARBOXYLIC ACID ETHYL ESTER |
213316-49-5 | 95% | 1g |
$*** | 2023-03-29 | |
| Chemenu | CM101931-1g |
(1R,2S)-1-BOC-AMINO-2-VINYLCYCLOPROPANECARBOXYLIC ACID ETHYL ESTER |
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(1R,2S)-1-(tert-Butoxy)carbonylamino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester Suppliers
(1R,2S)-1-(tert-Butoxy)carbonylamino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
Additional information on (1R,2S)-1-(tert-Butoxy)carbonylamino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester
Compound CAS No. 213316-49-5: (1R,2S)-1-(tert-Butoxy)carbonylamino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester
The compound with CAS No. 213316-49-5, known as (1R,2S)-1-(tert-Butoxy)carbonylamino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester, is a highly specialized organic compound with a complex structure. This compound belongs to the class of cyclopropane derivatives and features a unique stereochemistry at the 1R and 2S positions. The presence of the tert-butoxycarbonyl (Boc) group and the ethenyl substituent introduces significant functional diversity, making it a valuable molecule in various chemical and pharmaceutical applications.
CAS No. 213316-49-5 is characterized by its chiral centers and the presence of a cyclopropane ring, which contributes to its stability and reactivity. The tert-butoxycarbonyl group is a well-known protecting group in organic synthesis, often used to stabilize amino groups during chemical transformations. The ethenyl substituent adds another layer of complexity, enabling this compound to participate in various types of reactions, including cycloadditions and conjugate additions.
Recent studies have highlighted the potential of this compound in drug discovery. Its stereochemistry plays a crucial role in determining its biological activity, making it a promising candidate for the development of enantiomerically pure drugs. Researchers have explored its use as an intermediate in the synthesis of bioactive molecules, particularly those targeting specific enzymes or receptors.
The synthesis of (1R,2S)-1-(tert-Butoxy)carbonylamino-2-ethenyl-cyclopropanecarboxylic acid ethyl ester involves multi-step processes that require precise control over stereochemistry and functional group compatibility. Key steps include the formation of the cyclopropane ring through [2+1] cycloaddition reactions or other cyclization methods, followed by the introduction of the Boc group and ethenyl substituent via appropriate coupling reactions.
In terms of applications, this compound has shown potential in materials science as well. Its rigid cyclopropane structure can be incorporated into polymers or materials with unique mechanical properties. Additionally, its reactivity under specific conditions makes it a valuable reagent in organic synthesis.
Recent advancements in computational chemistry have enabled researchers to predict the electronic properties and reactivity of this compound with greater accuracy. These studies have provided insights into its potential as a catalyst or a component in catalytic systems, further expanding its utility in industrial applications.
In conclusion, CAS No. 213316-49-5 represents a versatile and intriguing molecule with applications spanning drug discovery, organic synthesis, and materials science. Its unique structure and stereochemistry make it a valuable tool for researchers seeking to develop novel compounds with specific biological or physical properties.
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