2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - ≥98% , CAS No.61676-62-8

CAS: 61676-62-8 Cat. No.: I120270 Peso molecular: 186.06 Beilstein Registry Number: 1906370 Número EC: 612-189-2

GRADE & PURITY ≥98%

Synonyms

2-isopropoxy-4,4,5,5-tetramethyl[1,3,2]-dioxaborolane | 2-iso-propoxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane | 2-Isopropoxy-4,4,5,5-tetramethyl[1,3,2]dioxaborolane | 2-isopropoxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane | 2-isopropoxy-4,4,5,5-tetramethy

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Reagent for fluorenylborolane preparation.Reagent used to borylate arenes

Specifications

Sinónimos

2-isopropoxy-4, 4, 5, 5-tetramethyl[1, 3, 2]-dioxaborolane | 2-iso-propoxy-4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolane | 2-Isopropoxy-4, 4, 5, 5-tetramethyl[1, 3, 2]dioxaborolane | 2-isopropoxy-4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolane | 2-isopropoxy-4, 4, 5, 5-tetramethy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195062
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195062
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)OC(C)C
• IUPAC Name: 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
• InChIKey: MRWWWZLJWNIEEJ-UHFFFAOYSA-N
• INCHI: 1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)OC(C)C
• WGK Alemania: 3
• Peso molecular: 186.06
• Beilstein: 1906370
• Reaxy-Rn: 1906370
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906370&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dioxaborolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dioxaborolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dioxaborolanes
• Alternative Parents: Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organic oxoanionic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3,2-dioxaborolane - Organic borate - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dioxaborolanes. These are compounds containing a five-member saturated aliphatic heterocycle made up of two oxygen atoms, a boron atom, and three carbon atoms.
• 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

• Solubilidad: Soluble in water.
• Sensibilidad: Moisture Sensitive
• Punto de congelación (°C): 1.409
• Índice de refracción: 1.41
• Punto de inflamación (°F): 109.4 °F
• Punto de inflamación (°C): 42°(107°F)
• Punto de ebullición (°C): 73°C/15mmHg
• Peso molecular: 186.060 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.143 Da
• Monoisotopic Mass: 186.143 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 173.000
• 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. Jianai Chen, Sijie Tan, Yue Yu, Shitong Zhang, Weijun Li, Qingbao Song, Yujie Dong, Cheng Zhang, Wai-Yeung Wong.  (2021)  Direct observation of excited state conversion in solid state from a TICT-Type mechanochromic luminogen.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2021.118179]

2. Jianai Chen, Mingjiao Sun, Yujie Dong, Weijun Li, Fener Chen.  (2024)  Dual-response signal under mechanical stimulation: Alkyl substituent effect on the fine-tuning of molecular packing.  JOURNAL OF LUMINESCENCE,      [PMID:] [10.1016/j.jlumin.2024.120866]