3-Hydroxybenzaldehyde - 10mM in DMSO , CAS No.100-83-4

CAS: 100-83-4 Cat. No.: H420292 Peso molecular: 122.12 Beilstein Registry Number: 507099 Número EC: 202-892-9

GRADE & PURITY 10mM in DMSO

Synonyms

(3-hydroxyphenyl)methanone | 3-hydroxy benzoaldehyde | AI3-12120 | SY001091 | SB40492 | 3-oxidanylbenzaldehyde | Z57772446 | (3-hydroxyphenyl) formaldehyde | P17108 | STK199259 | H0197 | NSC 3504 | FT-0615830 | NSC3504 | NSC-3504 | 3-hydroxylbenzaldehyde

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

application：

3-Hydroxybenzaldehyde can be used as a reactant along with ethyl acetoacetate and thiourea in the synthesis of corresponding dihydropyrimidine-2-thione (monastrol), using Yb(OTf)3 as a catalyst by Biginellicyclocondensation reaction.

It can also be used as a starting material for the synthesis of:

(-)-Quinocarcin, isoxazolo[3,4-e][2,1]benzisoxazole and 3-n-propylphenol.

Oligo-3-hydroxybenzaldehyde (O-3HBA) by oxidative polycondensation.

Specifications

Sinónimos

(3-hydroxyphenyl)methanone | 3-hydroxy benzoaldehyde | AI3-12120 | SY001091 | SB40492 | 3-oxidanylbenzaldehyde | Z57772446 | (3-hydroxyphenyl) formaldehyde | P17108 | STK199259 | H0197 | NSC 3504 | FT-0615830 | NSC3504 | NSC-3504 | 3-hydroxylbenzaldehyde

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC(=C1)O)C=O
• IUPAC Name: 3-hydroxybenzaldehyde
• InChIKey: IAVREABSGIHHMO-UHFFFAOYSA-N
• INCHI: 1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
• Isómeros SMILES: C1=CC(=CC(=C1)O)C=O
• WGK Alemania: 3
• RTECS: CU6450000
• Peso molecular: 122.12
• Beilstein: 507099
• Reaxy-Rn: 507099
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507099&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• External Descriptors: a small molecule

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)

MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

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

MDA-MB-231 (73002 Activities)

Explore this target

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Meloidogyne incognita (862 Activities)

Explore this target

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

C6 (2371 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light & Air Sensitive
• Punto de ebullición (°C): 240°C
• Punto de fusión (°C): 108°C
• Peso molecular: 122.120 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 122.037 Da
• Monoisotopic Mass: 122.037 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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. Tao Sun, Qinjun Chen, Zheng Zhou, Chao Li, Teng Yu, Chen Jiang.  (2023)  A chemiluminescent reporter assisted by in-situ neutrophils for imaging O2− at inflammatory sites.  JOURNAL OF CONTROLLED RELEASE,      [PMID:37100207] [10.1016/j.jconrel.2023.04.035]

2. Shuzhen Yang, Min He, Dongmei Li, John Shi, Litao Peng, Liu Jinjing.  (2023)  Antifungal activity of 40 plant essential oil components against Diaporthe fusicola from postharvest kiwifruits and their possible action mode.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2022.116102]

3. Pan-Pan Zhao, Cong Deng, Ze-Yong Zhao, Xing-Yu Li, Hong Chen, Yu-Zhong Wang.  (2021)  Benzaldehyde decorated octadecylamine for tailor-made molecular firefighting and efficient thermal energy management.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.133480]

4. Zhen-Long Wu, Di Shi, Li Huang, Wen-Ying He, Xiang-Ying Sun, Bin Liu, Jiang-Shan Shen.  (2018)  Highly selective and sensitive turn-on fluorescent probes for sensing Hg2+ ions in mixed aqueous solution.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2018.10.108]

5. Guanfan Chen, Mengzhuo Tang, Xiufang Fu, Fenmin Cheng, Xianghua Zou, Jingpei Wang, Rongjin Zeng.  (2017)  A highly sensitive and selective fluorescent sensor for detection of sulfide anion based on the steric hindrance effect.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2017.08.049]

6. Xiaoli Wu, Chunlei Dong, Alvianto Wirasaputra, Haohao Huang, Shumei Liu, Jianqing Zhao, Yi Fu.  (2017)  Imparting high flame retardancy to epoxy resin with ultra-low loading of 5,10-dihydro-phenophosphazine-10-oxide functioned triazine.  HIGH PERFORMANCE POLYMERS,      [PMID:] [10.1177/0954008317723083]

7. Cheng Hao, Wu Shubin, Huang Jinbao, Zhang Xiaohua.  (2017)  Direct evidence from in situ FTIR spectroscopy that o-quinonemethide is a key intermediate during the pyrolysis of guaiacol.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  409  (10): (2531-2537).  [PMID:28188351] [10.1007/s00216-017-0194-0]

8. Junsu Jin, Jiarong Sang, Xing Fan, Chengwei Chang, Hao Wu.  (2015)  Solubilities of hydroxybenzaldehyde isomers and their mixture in subcritical 1,1,1,2-tetrafluoroethane.  THERMOCHIMICA ACTA,      [PMID:] [10.1016/j.tca.2015.11.027]

9. Hao Wu, Jing Zhu, Yiwei Wang, Chengwei Chang, Junsu Jin.  (2015)  Measurement and modeling for solubility of 3-hydroxybenzaldehyde and its mixture with 4-hydroxybenzaldehyde in supercritical carbon dioxide.  FLUID PHASE EQUILIBRIA,      [PMID:] [10.1016/j.fluid.2015.10.012]

10. Feng Yu, Yu-Long Jia, Hui-Fang Wang, Jing Zheng, Yi Cui, Xin-Yu Fang, Lin-Min Zhang, Qing-Xi Chen.  (2015)  Synthesis of Triazole Schiff’s Base Derivatives and Their Inhibitory Kinetics on Tyrosinase Activity.  PLoS One,  10  (9): (e0138578).  [PMID:26422245] [10.1371/journal.pone.0138578]

11. Jie Shen, Ying Zhang, Wenqiu Chen, Wenhao Wang, Zushun Xu, Kelvin W. K. Yeung, Changfeng Yi.  (2013)  Synthesis and properties of hyperbranched polyimides derived from novel triamine with prolonged chain segments.  JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,  51  (11): (2425-2437).  [PMID:] [10.1002/pola.26628]

12. Wanting Li, Xilang Jin, Xuehao Ma, Bin Huang, Xinyu Zhang, Xiao Li, Qingfa Si, Weixing Chen.  (2025)  Facial preparation strategy of high-efficiency carbon dots-based anti-ultraviolet and anti-blue light shielding film and its application in LED.  Materials Science and Engineering B-Advanced Functional Solid-State Materials,      [PMID:] [10.1016/j.mseb.2025.117978]