4,4'-Dimethylbenzophenone - ≥99% , CAS No.611-97-2

CAS: 611-97-2 Cat. No.: D111071 分子式: C₁₅H₁₄O 分子量: 210.27 Beilstein Registry Number: 1240527 EC番号: 210-287-6

GRADE & PURITY ≥99%

Synonyms

D0685 | SMR000348920 | 4,4'-dimethyl benzophenone | Enamine_005826 | SR-01000389196-2 | STK290972 | HMS2720G23 | Di(4-methylphenyl) ketone | MLS001005683 | BIS(4-TOLYL)METHANONE | STR09191 | SY036131 | AE-641/00008061 | NSC 37137 | A833089 | SR-0100038919

Storage

Room temperature

Shipped In

Normal

概要

product describtion:

4,4′-Dimethylbenzophenone reacts with bis(trichlorotitanium phenoxide), a bidentate Lewis acid, to form a crystalline complex.

Product Application：

4,4'-Dimethylbenzophenone is used as catalytic agent and petrochemical additive. It is also used as pharmaceutical intermediates.

Specifications

同義語

D0685 | SMR000348920 | 4,4'-dimethyl benzophenone | Enamine_005826 | SR-01000389196-2 | STK290972 | HMS2720G23 | Di(4-methylphenyl) ketone | MLS001005683 | BIS(4-TOLYL)METHANONE | STR09191 | SY036131 | AE-641/00008061 | NSC 37137 | A833089 | SR-0100038919

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

• パブケム・シド: 504754342
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504754342
• カノニカル・スマイル: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C
• IUPAC Name: bis(4-methylphenyl)methanone
• InChIKey: ZWPWLKXZYNXATK-UHFFFAOYSA-N
• INCHI: 1S/C15H14O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
• 異性体SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C
• WGKドイツ: 3
• 分子量: 210.27
• Beilstein: 1240527
• Reaxy-Rn: 1240527
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1240527&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Toluenes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - Benzoyl - Toluene - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

関連ターゲット（人間）

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

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

関連ターゲット（非人間）

Plasmodium falciparum (966862 Activities)

Explore this target

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

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water.
• 沸点（°C）: 200 °C/17 mmHg
• 融点（°C）: 95°C
• 分子量: 210.270 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 210.104 Da
• Monoisotopic Mass: 210.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 206.000
• 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

参考文献

1. Zhixiang Lu, Yanxiong Liu, Xiaolan Liu, Shuhan Lu, Yuan Li, Shaoxiong Yang, Yu Qin, Liyan Zheng, Hongbin Zhang.  (2019)  A hollow microshuttle-shaped capsule covalent organic framework for protein adsorption.  Journal of Materials Chemistry B,  7  (9): (1469-1474).  [PMID:32255018] [10.1039/C8TB02870B]

2. Zhixiang Lu, Yunming Liu, Shuhan Lu, Yuan Li, Xiaolan Liu, Yu Qin, Liyan Zheng.  (2018)  A highly selective TPE-based AIE fluorescent probe is developed for the detection of Ag+.  RSC Advances,  8  (35): (19701-19706).  [PMID:35541010] [10.1039/C8RA03591A]

3. Chen Licong, Shi Rui, Han Yunfei, Wang Limei, Li Xingyun, Wang Zhongzhi.  (2026)  Eu(III) Complexes Coated WD-53 Modified Spherical SiO2 Core-shell Composite Material for Fluorescence Detection of 1-HP and Fe3+.  JOURNAL OF FLUORESCENCE,      [PMID:] [10.1007/s10895-026-04752-1]