tert-Butyl (6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl)carbamate - ≥97% , CAS No.1312611-41-8

CAS: 1312611-41-8 Cat. No.: T586965 Molecular Weight: 369.27 PubChem CID: 49758837

GRADE & PURITY ≥97%

Synonyms

t-Butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-ylcarbamate | AKOS015949478 | TERT-BUTYL 6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NAPHTHALEN-2-YLCARBAMATE | EN300-12585979 | tert-Butyl (6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

t-Butyl 6-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)naphthalen-2-ylcarbamate | AKOS015949478 | TERT-BUTYL 6-(4, 4, 5, 5-TETRAMETHYL-1, 3, 2-DIOXABOROLAN-2-YL)NAPHTHALEN-2-YLCARBAMATE | EN300-12585979 | tert-Butyl (6-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=C(C=C3)NC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]carbamate
• InChIKey: AGHCJCKEBFQSMP-UHFFFAOYSA-N
• INCHI: 1S/C21H28BNO4/c1-19(2,3)25-18(24)23-17-11-9-14-12-16(10-8-15(14)13-17)22-26-20(4,5)21(6,7)27-22/h8-13H,1-7H3,(H,23,24)
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=C(C=C3)NC(=O)OC(C)(C)C
• PubChem CID: 49758837
• Molecular Weight: 369.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Dioxaborolanes Carbamate esters Boronic acid esters Oxacyclic compounds Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Boronic acid ester - 1,3,2-dioxaborolane - Carbamic acid ester - Boronic acid derivative - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 369.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 369.211 Da
• Monoisotopic Mass: 369.211 Da
• Topological Polar Surface Area: 56.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 541.000
• 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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