2-metil-1-[4-(metiltio)fenil] -2-morfolino-1-propanona - ≥98% , CAS No.71868-10-5

CAS: 71868-10-5 Cat. No.: M130040 Peso molecular: 279.4 Beilstein Registry Number: 1127674 Número EC: 615-621-8

GRADE & PURITY ≥98%

Synonyms

2-methyl-1-(4-methylsulfanylphenyl)-2-morpholino-propan-1-one | EU-0035716 | 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one | 1-phenyl-2-(tetrahydro-2H-pyran-2-yl)butane-1,3-dione | Cyclohexen-1-yl-Boronic Acid | Supracet Yellow RR | BRD

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-methyl-1-(4-methylsulfanylphenyl)-2-morpholino-propan-1-one | EU-0035716 | 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one | 1-phenyl-2-(tetrahydro-2H-pyran-2-yl)butane-1, 3-dione | Cyclohexen-1-yl-Boronic Acid | Supracet Yellow RR | BRD

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488186705
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186705
• Sonrisas canónicas: CC(C)(C(=O)C1=CC=C(C=C1)SC)N2CCOCC2
• IUPAC Name: 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
• InChIKey: LWRBVKNFOYUCNP-UHFFFAOYSA-N
• INCHI: 1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3
• Isómeros SMILES: CC(C)(C(=O)C1=CC=C(C=C1)SC)N2CCOCC2
• WGK Alemania: 2
• Peso molecular: 279.4
• Beilstein: 1127674
• Reaxy-Rn: 1127674
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1127674&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpropanes Thiophenol ethers Benzoyl derivatives Aryl alkyl ketones Alkylarylthioethers Morpholines Alpha-amino ketones Trialkylamines Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpropane - Aryl thioether - Benzoyl - Thiophenol ether - Aryl alkyl ketone - Alkylarylthioether - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Alpha-aminoketone - Tertiary amine - Tertiary aliphatic amine - Thioether - Azacycle - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Sulfenyl compound - Amine - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Punto de ebullición (°C): 210°C/76mmHg
• Punto de fusión (°C): 73.0-77.0°C
• Peso molecular: 279.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 279.129 Da
• Monoisotopic Mass: 279.129 Da
• Topological Polar Surface Area: 54.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 305.000
• 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. Yongxing Guo, Jinghua Zhao, Limin Wu, Wei Liu, Yi Li, Yonggang Yang.  (2023)  Control the structure of the polyacrylate/epoxy resin film through photopolymerisation.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2023.2290291]

2. Yajie Yang, Jinghua Zhao, Wei Liu, Yi Li, Yonggang Yang.  (2023)  Preparation of the colorful retroreflective film based on the polymer-stabilized cholesteric liquid crystal.  MOLECULAR CRYSTALS AND LIQUID CRYSTALS,      [PMID:] [10.1080/15421406.2023.2274665]

3. Runwei Yu, Yu Cao, Kai Chen, Yi Li, Wei Liu, Baozong Li, Hongkun Li, Yonggang Yang.  (2022)  Light Intensity-Selective Photopolymerization and Photoisomerization for Creating Colorful Polymer-Stabilized Cholesteric Liquid Crystal Patterns.  ACS Applied Materials & Interfaces,      [PMID:35960859] [10.1021/acsami.2c10763]

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5. Xiangshen Meng, Jian Li, Yueqiang Lin, Xiaodong Liu, Jianwei Zhao, Decai Li, Zhenghong He.  (2022)  Periodic Electro-Optical Characteristics of PDLC Film Driven by a Low-Frequency Square Wave Voltage.  Crystals,  12  (2): (163).  [PMID:] [10.3390/cryst12020163]

6. Chuanwei Lu, Shijian Xu, Dongping Tang, Caoxing Huang, Daihui Zhang, Shishuai Gao, Jifu Wang, Chunpeng Wang, Qiang Yong, Fuxiang Chu.  (2025)  Cellulose-enabled dynamic crosslinking microdomains strategy inducing high strong and tough, reprocessable bio-elastomer for durable self-powered electronic textiles.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.161024]

7. Jinghua Zhao, Ming Zhang, Yongxing Guo, Wei Liu, Yi Li, Yonggang Yang.  (2024)  Colorful cholesteric liquid crystal polymer network patterns prepared using cholesteric liquid crystal inks.  GIANT,      [PMID:] [10.1016/j.giant.2024.100244]

8. Jinghua Zhao, Yajie Yang, Limin Wu, Wei Liu, Yi Li, Yonggang Yang.  (2024)  Colourful cholesteric liquid crystal polymer network gratings prepared through nanoimprinting.  LIQUID CRYSTALS,      [PMID:] [10.1080/02678292.2024.2302449]

9. Guangshe Zhang, Li Zhang, Wencheng Gao, Riwei Xu, Kuke Ding.  (2024)  Efficient Preparation of Poly(allyl diglycol carbonate) (PADC) Nuclear Track Detectors: UV Photopolymerization.  Polymers,  16  (13): (1891).  [PMID:39000746] [10.3390/polym16131891]

10. Jiaojiao Liu, Liting Xu, Ning Yang, Chuanjiang Hu, Yonggang Yang.  (2025)  Enhancing Circularly Polarized Luminescence in Chiral Fluorescent Dyes via Cholesteric Liquid Crystal Polymer Networks.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c00390]

11. Xiangyu Xu, Yuxuan Fu, Zhongren Shi, Chao Li, Yan Kuai, Zhijia Hu, Zhigang Cao, Siqi Li.  (2024)  Stable and self-healing perovskite for high-speed underwater optical wireless communication.  Journal of Materials Chemistry C,  12  (11): (3907-3914).  [PMID:] [10.1039/D3TC04809H]

12. Hui Peng, Xin Fang, Wen Huang, Wei Liu, Yonggang Yang, Qun Zhou, Yi Li.  (2024)  Fabrication of Single-Ion Conductors Based on Liquid Crystal Polymer Network for Quasi-Solid-State Lithium Ion Batteries.  ACS Applied Materials & Interfaces,      [PMID:39145510] [10.1021/acsami.4c11500]

13. Xingchen Liu, Limin Wu, Yi Li, Wei Liu, Yonggang Yang.  (2025)  A Photoisomerizable Chiral Dopant for Fast and Precise Controlling the Reflection Band of the CLCN Film.  Chemistry-An Asian Journal,      [PMID:40512062] [10.1002/asia.202500312]