2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - ≥98%(GC) , CAS No.250726-93-3

CAS: 250726-93-3 Cat. No.: D404278 Peso molecular: 268.13 Número EC: 963-686-9

GRADE & PURITY ≥98%(GC)

Synonyms

2,3-Dihydro-thieno[3,4-b][1,4]dioxine-5-boronic acid pinacol ester | 2,3-Dihydrothieno[3,4-b][1,4]dioxine-5-boronic Acid Pinacol Ester | (2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)boronic Acid Pinacol Ester | Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro-5-(4,4,5

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Maximum Absorption Wavelength:280(CH2Cl2)nm

Specifications

Sinónimos

2, 3-Dihydro-thieno[3, 4-b][1, 4]dioxine-5-boronic acid pinacol ester | 2, 3-Dihydrothieno[3, 4-b][1, 4]dioxine-5-boronic Acid Pinacol Ester | (2, 3-Dihydrothieno[3, 4-b][1, 4]dioxin-5-yl)boronic Acid Pinacol Ester | Thieno[3, 4-b]-1, 4-dioxin, 2, 3-dihydro-5-(4, 4, 5

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504767849
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767849
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CS2)OCCO3
• IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
• InChIKey: HRLHWIMNIQOHRF-UHFFFAOYSA-N
• INCHI: 1S/C12H17BO4S/c1-11(2)12(3,4)17-13(16-11)10-9-8(7-18-10)14-5-6-15-9/h7H,5-6H2,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CS2)OCCO3
• Peso molecular: 268.13
• Reaxy-Rn: 8416032
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8416032&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Para dioxins Thiophenes Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Para-dioxin - Heteroaromatic compound - Thiophene - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

• Sensibilidad: Air Sensitive,Heat Sensitive
• Punto de fusión (°C): 93 °C
• Peso molecular: 268.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 268.094 Da
• Monoisotopic Mass: 268.094 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 320.000
• 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

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