Cas no 2171171-33-6 ((1R)-1-(2-nitrophenyl)ethyl chloroformate)
(1R)-1-(2-nitrophenyl)ethyl chloroformate Chemical and Physical Properties
Names and Identifiers
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- (1R)-1-(2-nitrophenyl)ethyl chloroformate
- 2171171-33-6
- EN300-1612893
-
- Inchi: 1S/C9H8ClNO4/c1-6(15-9(10)12)7-4-2-3-5-8(7)11(13)14/h2-6H,1H3/t6-/m1/s1
- InChI Key: QRAXFOMREJXVAK-ZCFIWIBFSA-N
- SMILES: ClC(=O)O[C@H](C)C1C=CC=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 229.0141854g/mol
- Monoisotopic Mass: 229.0141854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 72.1?2
(1R)-1-(2-nitrophenyl)ethyl chloroformate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1612893-0.05g |
(1R)-1-(2-nitrophenyl)ethyl chloroformate |
2171171-33-6 | 0.05g |
$1682.0 | 2023-06-04 | ||
| Enamine | EN300-1612893-0.1g |
(1R)-1-(2-nitrophenyl)ethyl chloroformate |
2171171-33-6 | 0.1g |
$1761.0 | 2023-06-04 | ||
| Enamine | EN300-1612893-0.25g |
(1R)-1-(2-nitrophenyl)ethyl chloroformate |
2171171-33-6 | 0.25g |
$1841.0 | 2023-06-04 | ||
| Enamine | EN300-1612893-0.5g |
(1R)-1-(2-nitrophenyl)ethyl chloroformate |
2171171-33-6 | 0.5g |
$1922.0 | 2023-06-04 | ||
| Enamine | EN300-1612893-1.0g |
(1R)-1-(2-nitrophenyl)ethyl chloroformate |
2171171-33-6 | 1g |
$2002.0 | 2023-06-04 | ||
| Enamine | EN300-1612893-2.5g |
(1R)-1-(2-nitrophenyl)ethyl chloroformate |
2171171-33-6 | 2.5g |
$3925.0 | 2023-06-04 | ||
| Enamine | EN300-1612893-5.0g |
(1R)-1-(2-nitrophenyl)ethyl chloroformate |
2171171-33-6 | 5g |
$5807.0 | 2023-06-04 | ||
| Enamine | EN300-1612893-10.0g |
(1R)-1-(2-nitrophenyl)ethyl chloroformate |
2171171-33-6 | 10g |
$8611.0 | 2023-06-04 | ||
| Enamine | EN300-1612893-50mg |
(1R)-1-(2-nitrophenyl)ethyl chloroformate |
2171171-33-6 | 50mg |
$1682.0 | 2023-09-23 | ||
| Enamine | EN300-1612893-100mg |
(1R)-1-(2-nitrophenyl)ethyl chloroformate |
2171171-33-6 | 100mg |
$1761.0 | 2023-09-23 |
(1R)-1-(2-nitrophenyl)ethyl chloroformate Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
Additional information on (1R)-1-(2-nitrophenyl)ethyl chloroformate
Comprehensive Overview of (1R)-1-(2-nitrophenyl)ethyl chloroformate (CAS No. 2171171-33-6)
(1R)-1-(2-nitrophenyl)ethyl chloroformate (CAS No. 2171171-33-6) is a specialized chiral compound widely utilized in organic synthesis and pharmaceutical research. Its unique structure, featuring a nitrophenyl group and a chloroformate moiety, makes it a valuable intermediate for constructing complex molecules. The compound's enantiomeric purity (1R configuration) is particularly significant for applications requiring stereoselective reactions, such as asymmetric catalysis or drug development.
In recent years, the demand for chiral building blocks like (1R)-1-(2-nitrophenyl)ethyl chloroformate has surged due to advancements in green chemistry and sustainable synthesis. Researchers are increasingly focusing on atom-efficient reactions and catalytic processes, where this compound serves as a key reagent. Its role in forming carbamates and carbonates under mild conditions aligns with the industry's shift toward eco-friendly methodologies.
The compound's nitrophenyl group enhances its reactivity in nucleophilic substitution reactions, while the chloroformate moiety acts as an efficient leaving group. This dual functionality enables its use in peptide coupling, protecting group strategies, and polymer chemistry. Notably, its application in prodrug design has gained attention, as it facilitates controlled release mechanisms in therapeutic agents.
From an analytical perspective, CAS No. 2171171-33-6 is characterized by techniques such as HPLC, NMR spectroscopy, and mass spectrometry to ensure purity and structural integrity. Stability studies under varying pH and temperature conditions are critical for optimizing its storage and handling protocols. These insights are vital for industries prioritizing quality-by-design (QbD) principles.
Emerging trends in AI-driven drug discovery have also highlighted the importance of chiral intermediates like (1R)-1-(2-nitrophenyl)ethyl chloroformate. Computational models often predict its reactivity patterns, accelerating the development of novel bioactive compounds. Additionally, its compatibility with continuous flow chemistry systems makes it a candidate for scalable manufacturing processes.
In summary, (1R)-1-(2-nitrophenyl)ethyl chloroformate represents a versatile tool for modern synthetic chemists. Its alignment with sustainability goals, stereochemical precision, and broad applicability in pharmaceutical innovation ensures its continued relevance in scientific and industrial contexts.
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