ácido 2-naftilborónico (contiene cantidades variables de anhídrido) - ≥99% , CAS No.32316-92-0

CAS: 32316-92-0 Cat. No.: N396124 Peso molecular: 171.99 Beilstein Registry Number: 2936449 Número EC: 628-070-3

GRADE & PURITY ≥99%

Synonyms

KPTRDYONBVUWPD-UHFFFAOYSA-N | naphth-2-yl boronic acid | AS-2618 | naphthalen-2-yl boronic acid | 2-naphthaleneylboronic acid | 2-NAPHTHYLBENZOIC ACID | Naphthalene-2-boronicacid | 2-napthaleneboronic acid | SY004747 | 2-naphthyl boronic acid | EN300-7656

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

KPTRDYONBVUWPD-UHFFFAOYSA-N | naphth-2-yl boronic acid | AS-2618 | naphthalen-2-yl boronic acid | 2-naphthaleneylboronic acid | 2-NAPHTHYLBENZOIC ACID | Naphthalene-2-boronicacid | 2-napthaleneboronic acid | SY004747 | 2-naphthyl boronic acid | EN300-7656

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504761124
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761124
• Sonrisas canónicas: B(C1=CC2=CC=CC=C2C=C1)(O)O
• IUPAC Name: naphthalen-2-ylboronic acid
• InChIKey: KPTRDYONBVUWPD-UHFFFAOYSA-N
• INCHI: 1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H
• Isómeros SMILES: B(C1=CC2=CC=CC=C2C=C1)(O)O
• WGK Alemania: 3
• Peso molecular: 171.99
• Beilstein: 2936449
• Reaxy-Rn: 2936449
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2936449&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Boronic acids Organic metalloid salts Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organoboron compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

PTGER3 Tclin Prostanoid EP3 receptor (1985 Activities)

Discover Target: PTGER3

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

KB (17409 Activities)

Explore this target

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

Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Carbonic anhydrase (69 Activities)

Explore this target

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

Staphylococcus aureus (210822 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

• Solubilidad: Slightly soluble in water, soluble in methanol.
• Punto de fusión (°C): 268℃
• Peso molecular: 171.990 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.07 Da
• Monoisotopic Mass: 172.07 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 172.000
• 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

XLogP3

Referencias

1. Zhong Ximing, Lan Ruopeng, Su Guofeng, Hao Li, Xu Hua, Zhou Hongjun, Zhou Xinhua.  (2023)  Enhancing the salt stress resistance of seeds and seedlings via a brassinolide sustained release agent system.  Chemical and Biological Technologies in Agriculture,  10  (1): (1-16).  [PMID:] [10.1186/s40538-023-00510-8]

2. Xinrui Yang, Yingying Xu, Xiaojin Huang, Junmeng Hang, Weiliang Guo, Zhihui Dai.  (2023)  Multicolor Iridium(III) Complexes with Host–Guest Recognition Motifs for Enhanced Electrochemiluminescence and Modular Labeling.  ANALYTICAL CHEMISTRY,      [PMID:36820622] [10.1021/acs.analchem.2c05698]

3. Qiyu Meng, Yupei Wang, Meng Rong, Huifang Xing, Liangrong Yang, Huizhou Liu, Ru-An Chi, Congmei Chen.  (2024)  Factors affecting the affinity of boronic acid derivatives to linear polyols: The substituents of boronic acid derivatives and relative position of dihydroxyl group in polyols.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126698]

4. Weiyu Qu, Xinrui Yang, Xiaojin Huang, Weiliang Guo, Zhihui Dai.  (2024)  Electrochemiluminescence of iridium(III)/ruthenium(II) complexes with naphthyl tags in solutions and host–guest thin films.  DALTON TRANSACTIONS,  53  (11): (5284-5290).  [PMID:38410928] [10.1039/D3DT03922F]