Benzaldehyde dimethyl acetal - ≥98% , CAS No.1125-88-8

CAS: 1125-88-8 Cat. No.: B107016 Peso molecular: 152.19 Beilstein Registry Number: 2044501 Número EC: 214-413-0

GRADE & PURITY ≥98%

Synonyms

W6T83K35CA | 4-07-00-00513 (Beilstein Handbook Reference) | PHENYLDIMETHOXYMETHANE | .alpha.,.alpha.-Dimethoxytoluene | Benzaldehyde dimethyl acetal, purum, >=98.0% (GC) | FEMA No. 2128 | FT-0606129 | Dimethoxyphenylmethane | EN300-20477 | Benzene, dimeth

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

The abstraction of α-hydrogen atoms from benzaldehyde dimethyl acetal by active bromine at 80°C has been investigated.
Benzaldehyde dimethyl acetal used as an effective reagent for the construction of selenocarbonyl compounds.

Specifications

Sinónimos

W6T83K35CA | 4-07-00-00513 (Beilstein Handbook Reference) | PHENYLDIMETHOXYMETHANE | .alpha., .alpha.-Dimethoxytoluene | Benzaldehyde dimethyl acetal, purum, >=98.0% (GC) | FEMA No. 2128 | FT-0606129 | Dimethoxyphenylmethane | EN300-20477 | Benzene, dimeth

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488183570
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183570
• Sonrisas canónicas: COC(C1=CC=CC=C1)OC
• IUPAC Name: dimethoxymethylbenzene
• InChIKey: HEVMDQBCAHEHDY-UHFFFAOYSA-N
• INCHI: 1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
• Isómeros SMILES: COC(C1=CC=CC=C1)OC
• WGK Alemania: 3
• RTECS: CU5774000
• Peso molecular: 152.19
• Beilstein: 2044501
• Reaxy-Rn: 2044501
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044501&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

• Solubilidad: Insoluble in water. Soluble in alcohol.
• Sensibilidad: Air & Moisture sensitive.
• Índice de refracción: 1.492-1.494
• Punto de inflamación (°F): 156.2 °F
• Punto de inflamación (°C): 69 °C
• Punto de ebullición (°C): 207°C
• Peso molecular: 152.190 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.084 Da
• Monoisotopic Mass: 152.084 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 93.700
• 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. Yan-Sai Bao, Wei Liu, Zhen-Lin Dong, Zhi-Qiang Xing, Ming Yang, Yong-He Cui, Ling-Xu Meng, Liang-Cheng Li, Xiao-Meng Xu, Zheng-Bo Han, Yu-Yang Zhang.  (2023)  Metal–organic frameworks as an efficient Pickering interfacial catalyst for the deacetalization-Knoevenagel tandem reaction.  NEW JOURNAL OF CHEMISTRY,  47  (18): (8906-8912).  [PMID:] [10.1039/D3NJ00788J]

2. Yan He, Wenli Bao, Yingcen Hua, Zhulei Guo, Xiaolei Fu, Bing Na, Dingzhong Yuan, Changjun Peng, Honglai Liu.  (2022)  Efficient adsorption of methyl orange and methyl blue dyes by a novel triptycene-based hyper-crosslinked porous polymer.  RSC Advances,  12  (9): (5587-5594).  [PMID:35425553] [10.1039/D1RA08589A]

3. Shanchao Ke, Ganggang Chang, Zhiyi Hu, Ge Tian, Daiwen Yang, Xiaochen Ma, Kexin Huang, Jiaxin Li, Xiaoyu Yang.  (2020)  Integrated-Trifunctional Single Catalyst with Fine Spatial Distribution via Stepwise Anchored Strategy for Multistep Autotandem Catalysis.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.9b05617]

4. Danjie Li, Lingmei Liu, Lijing Zhang, Shengyang Tao, Guangtao Li, Yongxian Yu, Xin Liu.  (2019)  Self-Assembly of Nanoparticles in a Modular Fashion to Prepare Multifunctional Catalysts for Cascade Reactions: From Simplicity to Complexity.  ACS Omega,      [PMID:31459416] [10.1021/acsomega.8b03098]

5. Yujie Zhang, Zhongyuan Guo, Zhonglian Cao, Wenxi Zhou, Yu Zhang, Qinjun Chen, Yifei Lu, Xinli Chen, Qin Guo, Chao Li, Donghui Liang, Tao Sun, Chen Jiang.  (2018)  Endogenous albumin-mediated delivery of redox-responsive paclitaxel-loaded micelles for targeted cancer therapy.  BIOMATERIALS,      [PMID:30179775] [10.1016/j.biomaterials.2018.06.002]

6. Guang-Hua Huo, Xu-Tao Chen, Zhi-Min Li, Cheng-Fu Liu, Da-Jin Xiao.  (2018)  Synthesis and structure-activity relationship of theasapogenol galactosides against Magnaporthe oryzae.  JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH,      [PMID:28492090] [10.1080/10286020.2017.1325877]

7. Yujie Zhang, Yifei Lu, Yu Zhang, Xi He, Qinjun Chen, Lisha Liu, Xinli Chen, Chunhui Ruan, Tao Sun, Chen Jiang.  (2017)  Tumor-Targeting Micelles Based on Linear–Dendritic PEG–PTX8 Conjugate for Triple Negative Breast Cancer Therapy.  MOLECULAR PHARMACEUTICS,      [PMID:28832164] [10.1021/acs.molpharmaceut.7b00430]

8. Wentong Song, Shengyang Tao, Yongxian Yu, Xuanlu Du, Shuo Wang.  (2016)  Preparing magnetic multicomponent catalysts via a bio-inspired assembly for heterogeneous reactions.  RSC Advances,  6  (74): (69909-69918).  [PMID:] [10.1039/C6RA12088A]

9. Wei Liu, Yu-Qing Zhang, Zhen-Lin Dong, Zi-Xuan Chen, Lei Li, Xin-Yuan Zhao, Yang Wu, Yu-Yang Zhang.  (2024)  An Efficient Bifunctional Core-Shell ZIF-90@ZIF-67 Composite as a Stable Pickering Interfacial Catalyst for the Deacetalization–Knoevenagel Tandem Reaction.  CHEMISTRY-A EUROPEAN JOURNAL,      [PMID:39498512] [10.1002/chem.202403363]

10. Shuqin Xu, Meiling Qiu, Liyuan Liang, Yue Chen, Yajia Wang, Jing Wu, Jinghua Chen.  (2025)  Multifunctions of Sustainable Chondroitin Sulfates with Predominant Subtypes and Low Molecular Weights on Neurite Outgrowth.  BIOMACROMOLECULES,      [PMID:39835408] [10.1021/acs.biomac.4c01713]

11. Xu-Hui Huang, Yu-Ying Zhang, Ming Zhu, Da-Yong Zhou, Ming Du, Bei-Wei Zhu, Xiu-Ping Dong, Ian Fisk, Lei Qin.  (2020)  The effects of different extraction methods on the aroma fingerprint, recombination and visualization of clam soup.  Food & Function,  12  (4): (1626-1638).  [PMID:33476357] [10.1039/D0FO02615H]

12. Shuyu Tang, Hongxi Zhang, Ji Li, Jun Huang, Liang Wei, Jing Yang, Xiande Yang.  (2025)  One-Pot Metal Catalyst Free Electrocatalysis for Lignin Valorization: Tandem β-O-4 Linkage Cleavage and In Situ Acetalization.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41379100] [10.1021/acs.jafc.5c12444]