Cyclohexyl Isocyanide - ≥98%(GC) , CAS No.931-53-3

CAS: 931-53-3 Cat. No.: C153258 분자식: C₇H₁₁N 분자량: 109.17 Beilstein Registry Number: 3662330 EC 번호: 213-238-7

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS001476742 | STK893682 | Cyclohexane, isocyano- | NSC60128 | NSC-60128 | Cyclohexaneisonitrile | Ketorolac tromethamine salt | A904753 | DTXSID90239266 | CYI | Isocyanocyclohexane | Isocyano-cyclohexane | SCHEMBL243870 | N7L87QP9YG | InChI=1/C7H11N/c1-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

Cyclohexyl isocyanide reacts with dimethyl acetylenedicarboxylate to give a mixture of cyclopenta[b]pyridine derivatives, azaspirononatriene derivative and the azabicyclononatriene. It reacts with dialkyl acetylenedicarboxylates to form 1:1 intermediate which on facile addition to 1-benzylisatin and tryptantrin yields highly functionalized novel unsaturated γ-spiroiminolactones.

Specifications

동의어

AKOS001476742 | STK893682 | Cyclohexane, isocyano- | NSC60128 | NSC-60128 | Cyclohexaneisonitrile | Ketorolac tromethamine salt | A904753 | DTXSID90239266 | CYI | Isocyanocyclohexane | Isocyano-cyclohexane | SCHEMBL243870 | N7L87QP9YG | InChI=1/C7H11N/c1-

사양 및 순도

≥98%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 508813468
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508813468
• 정식 스마일: [C-]#[N+]C1CCCCC1
• IUPAC Name: isocyanocyclohexane
• InChIKey: XYZMOVWWVXBHDP-UHFFFAOYSA-N
• INCHI: 1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2
• 이성체 SMILES: [C-]#[N+]C1CCCCC1
• WGK 독일: 3
• 분자량: 109.17
• Beilstein: 3662330
• Reaxy-Rn: 1563093
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1563093&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Organic isocyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Organic isocyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic isocyanides
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic isocyanide - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as organic isocyanides. These are organic compounds containing the isomer HN+#C- of hydrocyanic acid, HC#N, or its hydrocarbyl derivatives RNC (RN+#C-).
• External Descriptors: isocyanide

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

화학 및 물리적 특성

• 감도: Moisture sensitive.
• 굴절률: 1.45
• 발화점(°F): 170.6 °F
• 발화점(°C): 77°C(lit.)
• 끓는점(°C): 78°C/27mmHg(lit.)
• 분자량: 109.170 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 109.089 Da
• Monoisotopic Mass: 109.089 Da
• Topological Polar Surface Area: 4.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• 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

참고 문헌

1. Haifang Liu, Riting Huang, Xinyu Zhao, Shujuan Yang, Furui He, Wenqi Qin, Junhao Huang, Gaobo Yu, Yuhong Feng, Jiacheng Li, Chenghong Liao.  (2023)  Ca2+/pH-triggered gelation of Pickering emulsion in vitro digestion: Visualization and sustained-release performance.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2023.108583]

2. Zhou Qichang, Zhang Siqi, Peng Yang, Fang Xiuqin, Zhao Xinyu, Yu Gaobo, Xie Yanli, Li Jiacheng, Feng Yuhong.  (2022)  Ca2+-Triggered Interaction of Amphiphilic Alginate and Soil to Facilitate Agrochemical Adsorption.  JOURNAL OF POLYMERS AND THE ENVIRONMENT,  31  (4): (1628-1641).  [PMID:] [10.1007/s10924-022-02697-7]

3. Xinyu Cao, Chuang Xiong, Xinyu Zhao, Shujuan Yang, Qiyan Wen, Haiyun Tang, Qu Zeng, Yuhong Feng, Jiacheng Li.  (2022)  Tuning self-assembly of amphiphilic sodium alginate-decorated selenium nanoparticle surfactants for antioxidant Pickering emulsion.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:35513095] [10.1016/j.ijbiomac.2022.04.214]

4. Lei Wang, Qiumeng Zheng, Peilong Xu, Yunjing Li, Yeqiang Tan, Rui Wang, Longyun Hao.  (2021)  Amphiphilic alginate stabilized UV-curable polyurethane acrylate as a surface coating to improve the anti-wrinkle performance of cotton fabrics.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2021.106595]

5. Furui He, Longzheng Wang, Shujuan Yang, Wenqi Qin, Yuhong Feng, Yuanyuan Liu, Yang Zhou, Gaobo Yu, Jiacheng Li.  (2021)  Highly stretchable and tough alginate-based cyclodextrin/Azo-polyacrylamide interpenetrating network hydrogel with self-healing properties.  CARBOHYDRATE POLYMERS,      [PMID:33483080] [10.1016/j.carbpol.2020.117595]

6. Xiuqin Fang, Xinyu Zhao, Gaobo Yu, Lei Zhang, Yuhong Feng, Yang Zhou, Yuanyuan Liu, Jiacheng Li.  (2019)  Effect of molecular weight and pH on the self-assembly microstructural and emulsification of amphiphilic sodium alginate colloid particles.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2019.105593]

7. Qile Chen, Tong Ye, Shujuan Yang, Linwang Fan, Chaonan Shang, Yuhong Feng, Jiacheng Li, Yujuan Wang, Gaobo Yu, Jun Dai.  (2025)  Multiple non-covalent bonds reinforced pH/glucose-responsive alginate-stabilized Pickering emulsion for diacylated anthocyanin intestinal delivery.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40174825] [10.1016/j.ijbiomac.2025.142721]