tert-Butyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)carbamate - ≥95% , CAS No.1251732-64-5

CAS: 1251732-64-5 Cat. No.: T190302 Peso molecular: 323.24 Número EC: 856-433-8 PubChem CID: 66570714

GRADE & PURITY ≥95%

Synonyms

4-BOC-AMINO-CYCLOHEX-1-ENYL-BORONIC ACID PINACOL ESTER | DS-17384 | 4-(N-BOC-Amino)cyclohex-1-enyl-1-boronic acid pinacol ester | 4-(Boc-amino)-1-cyclohexene-1-boronic Acid Pinacol Ester | MFCD12032216 | SY107670 | EN300-317177 | DTXSID80735308 | AB65308

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-BOC-AMINO-CYCLOHEX-1-ENYL-BORONIC ACID PINACOL ESTER | DS-17384 | 4-(N-BOC-Amino)cyclohex-1-enyl-1-boronic acid pinacol ester | 4-(Boc-amino)-1-cyclohexene-1-boronic Acid Pinacol Ester | MFCD12032216 | SY107670 | EN300-317177 | DTXSID80735308 | AB65308

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504771837
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771837
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)NC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate
• InChIKey: BQDDQHLYCAQNMX-UHFFFAOYSA-N
• INCHI: 1S/C17H30BNO4/c1-15(2,3)21-14(20)19-13-10-8-12(9-11-13)18-22-16(4,5)17(6,7)23-18/h8,13H,9-11H2,1-7H3,(H,19,20)
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)NC(=O)OC(C)(C)C
• PubChem CID: 66570714
• Peso molecular: 323.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Boronic acid derivatives
      • Subclass Boronic acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Boronic acid derivatives
• Subclass: Boronic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acid esters
• Alternative Parents: Dioxaborolanes Carbamate esters Oxacyclic compounds Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Carbamic acid ester - 1,3,2-dioxaborolane - Boronic acid ester - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
• 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

• Peso molecular: 323.200 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 323.227 Da
• Monoisotopic Mass: 323.227 Da
• Topological Polar Surface Area: 56.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 477.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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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