Ftalimidomalonato de dietilo - ≥96%(N) , CAS No.5680-61-5

CAS: 5680-61-5 Cat. No.: D155876 Peso molecular: 305.29 Beilstein Registry Number: 303845 Número EC: 227-138-6

GRADE & PURITY ≥96%(N)

Synonyms

FT-0642098 | MLS000738280 | 1,3-diethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanedioate | Diethyl 2-(1,3-dioxoisoindolin-2-yl)malonate | NSC165971 | NSC-165971 | Phthalimidomalonic Acid Diethyl Ester | Diethyl 2-phthalimidomalonate | AKOS005426242

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0642098 | MLS000738280 | 1, 3-diethyl 2-(1, 3-dioxo-2, 3-dihydro-1H-isoindol-2-yl)propanedioate | Diethyl 2-(1, 3-dioxoisoindolin-2-yl)malonate | NSC165971 | NSC-165971 | Phthalimidomalonic Acid Diethyl Ester | Diethyl 2-phthalimidomalonate | AKOS005426242

Especificaciones y pureza

≥96%(N)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%(N)

Nombres e identificadores

• Pubchem Sid: 488185770
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185770
• Sonrisas canónicas: CCOC(=O)C(C(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O
• IUPAC Name: diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate
• InChIKey: SZNGBHWKVWEBKW-UHFFFAOYSA-N
• INCHI: 1S/C15H15NO6/c1-3-21-14(19)11(15(20)22-4-2)16-12(17)9-7-5-6-8-10(9)13(16)18/h5-8,11H,3-4H2,1-2H3
• Isómeros SMILES: CCOC(=O)C(C(=O)OCC)N1C(=O)C2=CC=CC=C2C1=O
• WGK Alemania: 3
• Peso molecular: 305.29
• Beilstein: 303845
• Reaxy-Rn: 303845
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=303845&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Indolyl carboxylic acids and derivatives Phthalimides Isoindoles Indoles N-substituted carboxylic acid imides Dicarboxylic acids and derivatives Benzenoids 1,3-dicarbonyl compounds Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Indolyl carboxylic acid derivative - Phthalimide - Isoindolone - Indole - Isoindoline - Isoindole - Isoindole or derivatives - Dicarboxylic acid or derivatives - Carboxylic acid imide, n-substituted - 1,3-dicarbonyl compound - Benzenoid - Carboxylic acid imide - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Punto de fusión (°C): 76 °C
• Peso molecular: 305.280 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 305.09 Da
• Monoisotopic Mass: 305.09 Da
• Topological Polar Surface Area: 90.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 446.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Cuiyun Liu, Hongyu Liu, Yingli Zheng, Jie Luo, Chang Lu, Yuxin He, Xinchang Pang, Rama Layek.  (2023)  Schiff base crosslinked graphene/oxidized nanofibrillated cellulose/chitosan foam: An efficient strategy for selective removal of anionic dyes.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:37625741] [10.1016/j.ijbiomac.2023.126448]

2. Caili Guo, Fangcong Hua, Peiying Chen, Xiaoyin Wang, Xiaohong Hou, Jianhua Qu, Qi Hu.  (2023)  Organic pollutants removal by phosphoric acid modified biochar from residue of Inonotus obliquus.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.110292]

3. Ying Luo, Guan-Hua Zhao, Xue-Chen Pei, Fa-Wen Yin, Hui-Lin Liu, Lei Qin, Da-Yong Zhou.  (2023)  The Inhibitory Effect of Gallic Acid Alkyl Esters on Lipid Oxidation of Intactly Soaked Oyster Meats and Oyster Meat Homogenates during Refrigerated Storage.  EUROPEAN JOURNAL OF LIPID SCIENCE AND TECHNOLOGY,  125  (7): (2200161).  [PMID:] [10.1002/ejlt.202200161]

4. Zhiquan Yang, Chong He, Wenning Liao, Xinyi Zhang, Wanhui Liu, Baosheng Zou.  (2022)  Adsorption of Orange G in Liquid Solution by the Amino Functionalized GO.  Separations,  9  (12): (391).  [PMID:] [10.3390/separations9120391]

5. Ying Luo, Ao Li, Miao Shen, Man-Man Yu, Zi-Xuan Wu, Xiao-Yang Liu, Fa-Wen Yin, Da-Yong Zhou.  (2022)  Effects of gallic acid and its alkyl esters on lipid oxidation during in vitro simulated gastrointestinal digestion of fresh and fried oysters.  INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY,  57  (3): (1718-1728).  [PMID:] [10.1111/ijfs.15548]

6. Yan Shen, Chao Guo, Ting Lu, Xu-Yang Ding, Man-Tong Zhao, Min Zhang, Hui-Lin Liu, Liang Song, Da-Yong Zhou.  (2021)  Effects of gallic acid alkyl esters and their combinations with other antioxidants on oxidative stability of DHA algae oil.  FOOD RESEARCH INTERNATIONAL,      [PMID:33992380] [10.1016/j.foodres.2021.110280]

7. Man-Tong Zhao, Zhong-Yuan Liu, Ao Li, Guan-Hua Zhao, Hong-Kai Xie, Da-Yong Zhou, Tong Wang.  (2020)  Gallic acid and its alkyl esters emerge as effective antioxidants against lipid oxidation during hot air drying process of Ostrea talienwhanensis.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2020.110551]

8. Yunyan Li, Tong Yan, Wenya Chang, Chongjiang Cao, Dawei Deng.  (2019)  Fabricating an intelligent cell-like nano-prodrug via hierarchical self-assembly based on the DNA skeleton for suppressing lung metastasis of breast cancer.  Biomaterials Science,  7  (9): (3652-3661).  [PMID:31169833] [10.1039/C9BM00630C]

9. Fusheng Pan, Weixiong Guo, Yanlei Su, Niaz Ali Khan, Hao Yang, Zhongyi Jiang.  (2019)  Direct growth of covalent organic framework nanofiltration membranes on modified porous substrates for dyes separation.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2019.01.064]

10. Hailong Liu, Ruixue Sun, Shengyu Feng, Dengxu Wang, Hongzhi Liu.  (2018)  Rapid synthesis of a silsesquioxane-based disulfide-linked polymer for selective removal of cationic dyes from aqueous solutions.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2018.11.148]

11. Yuwei Pan, Minghua Zhou, Xiang Li, Liting Xu, Zhuoxuan Tang, Xuejie Sheng, Bing Li.  (2016)  Highly efficient persulfate oxidation process activated with pre-magnetization Fe0.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2016.05.001]

12. Xiu-Juan Wu, Ji-De Wang, Li-Qin Cao.  (2016)  Characterization and adsorption performance of chitosan/diatomite membranes for Orange G removal.  E-POLYMERS,  16  (2): (99-109).  [PMID:] [10.1515/epoly-2015-0218]

13. Li Jiajia, Wang Qizhao, Bai Yan, Jia Yongming, Shang Pan, Huang Haohao, Wang Fangping.  (2015)  Preparation of a novel acid doped polyaniline adsorbent for removal of anionic pollutant from wastewater.  JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION,  30  (5): (1085-1091).  [PMID:] [10.1007/s11595-015-1276-5]

14. Xinmei Xiong, Bo Sun, Jing Zhang, Naiyun Gao, Jimin Shen, Jialing Li, Xiaohong Guan.  (2014)  Activating persulfate by Fe0 coupling with weak magnetic field: Performance and mechanism.  WATER RESEARCH,      [PMID:24934323] [10.1016/j.watres.2014.05.042]

15. Linlin Huang, Xuwen Zhang, Tingting Liu, Lin Wang, Lixin Li, Da Li, Tao Sheng, Zilong Dong, Xinyue Zhao.  (2024)  Adsorption of Orange G on Activated Porous Carbon Derived from Coal Tar Pitch: Experimental and DFT Study.  LANGMUIR,      [PMID:39558757] [10.1021/acs.langmuir.4c03157]