1-Pyrenemethanol - ≥98%(HPLC) , CAS No.24463-15-8

CAS: 24463-15-8 Cat. No.: P137545 분자식: C₁₇H₁₂O 분자량: 232.28 PubChem CID: 104977

GRADE & PURITY ≥98%(HPLC)

Synonyms

Pyrenemethanol | J-015537 | UNII-C76UX3EH8M | D71019 | SCHEMBL505806 | MFCD00029252 | P1221 | CCRIS 6510 | 1-Hydroxymethylpyrene | pyren-1-ylmethanol | 1-Pyrenemethanol, 98% | A877910 | C76UX3EH8M | SB66885 | (1-pyrenyl)methanol | SY052044 | (PYREN-1-YL)M

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Pyrenemethanol | J-015537 | UNII-C76UX3EH8M | D71019 | SCHEMBL505806 | MFCD00029252 | P1221 | CCRIS 6510 | 1-Hydroxymethylpyrene | pyren-1-ylmethanol | 1-Pyrenemethanol, 98% | A877910 | C76UX3EH8M | SB66885 | (1-pyrenyl)methanol | SY052044 | (PYREN-1-YL)M

사양 및 순도

≥98%(HPLC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 488187377
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187377
• 정식 스마일: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CO
• IUPAC Name: pyren-1-ylmethanol
• InChIKey: NGDMLQSGYUCLDC-UHFFFAOYSA-N
• INCHI: 1S/C17H12O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9,18H,10H2
• 이성체 SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CO
• WGK 독일: 3
• RTECS: UR2457242
• PubChem CID: 104977
• 분자량: 232.28
• Reaxy-Rn: 1967709

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives Naphthalenes Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• 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

관련 대상(인간)

SULT2A1 Tbio Alcohol sulfotransferase (89 Activities)

Discover Target: SULT2A1

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

SULT1A3 Tbio Sulfotransferase 1A3/1A4 (8 Activities)

Discover Target: SULT1A3

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Methanol,
• 녹는점(°C): 125 °C
• 분자량: 232.280 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 232.089 Da
• Monoisotopic Mass: 232.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 313.000
• 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. Jingfang Hu, Linzhe Wang, Yu Song, Yansheng Li, Yu Shen, Guowei Gao, Lei Qin, Jianfeng Wu, Ashok Mulchandani.  (2023)  Ion imprinted polymers integrated into a multi-functional microfluidic paper-based analytical device for trace cadmium detection in water.  Analytical Methods,  16  (2): (179-188).  [PMID:38047435] [10.1039/D3AY01787G]

2. Tianyou Chen, Wei Xiao, Zihao Wang, Pengfei Gan, Changfeng Yi, Zushun Xu.  (2021)  Pyrene-Containing Polymer-Supported Cu/TEMPO Catalytic Systems: Aromatic Stacking-Enhanced Cooperative Catalysis.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.1c09972]

3. Yuanhong Xu, Tao Chen, Jing Sun, Jingquan Liu.  (2018)  Multifunctional solid-state electrochemiluminescent chemosensors and aptasensor with free-standing active sites based on task-specific pyrene-terminated polymers via RAFT polymerization.  ANALYTICA CHIMICA ACTA,      [PMID:30322550] [10.1016/j.aca.2018.07.046]

4. Wei Wan-chu, Feng Shuo, Zheng Cai-xia, Liang Guo-dong, Zhu Fang-ming.  (2017)  Fluorescent quantum yield of pyrene probe in ultrathin polymer films.  CHINESE JOURNAL OF POLYMER SCIENCE,  35  (3): (400-406).  [PMID:] [10.1007/s10118-017-1884-y]

5. Sihua Guo, Fangyuan Zheng, Fang Zeng, Shuizhu Wu.  (2015)  A fluorescent probe capable of discriminately and simultaneously detecting dl-dithiothreitol and single sulfhydryl-containing thiols.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2015.10.036]

6. Wei Wan-Chu, Feng Shuo, Zheng Cai-Xia, Liang Guo-Dong, Gao Hai-Yang, Wu Qing, Zhu Fang-Ming.  (2015)  Glass transition and quantum yield for fluorescent labelled polystyrene core-forming block in self-assembled nanomicelles of amphiphilic diblock copolymers.  JOURNAL OF POLYMER RESEARCH,  22  (11): (1-8).  [PMID:] [10.1007/s10965-015-0855-7]

7. Zhongqian Song, Yuanhong Xu, Wenrong Yang, Liang Cui, Jizhen Zhang, Jingquan Liu.  (2015)  Graphene/tri-block copolymer composites prepared via RAFT polymerizations for dual controlled drug delivery via pH stimulation and biodegradation.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2015.02.014]

8. Hong-Wei Di, Xing-Qiang Zhao, Xin-Ru Zhang, Jiangping Cao, Ya-Ting Wang, Hua He, Jun-Ling Dong, Chao Fan, Nan Zhang.  (2025)  Synthesis of polymer fluorescent probe by ring opening polymerization of ε ‒ caprolactone induced by 1 ‒ pyrene methanol and its recognition of Zn2+.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2025.144778]

9. Haixia Wang, Ning Xiao, Chen Zhou, Evgeny Kovtunets, Mingxin Luo, Chenyang Zou, Yining Wang, Jing Sun.  (2025)  A Novel Pyrene-Based Fluorescent Probe for the Detection of Cu2+.  Chemosensors,  13  (11): (403).  [PMID:] [10.3390/chemosensors13110403]