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tert-butyl N-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-fluorophenyl]carbamate

CAS 1218791-08-2Formula C16H23BFNO4MW 323.2PubChem 44717769

This compound is a complex organic molecule featuring a fluorophenyl group, a carbamate, and a neopentyl glycol boronate ester. It is classified as a functionalized intermediate, primarily used as a versatile building block in organic synthesis for research purposes.

Loading RDKit molecule structure...
InChIKey: NDJMNNBHOSICOK-UHFFFAOYSA-NC16H23BFNO4 | MW 323.2

Chemical Identity

Molecular Formula

C16H23BFNO4

Molecular Weight

323.2 g/mol

Exact Mass

323.170417

PubChem CID

44717769

SMILES String

CC1(C)COB(c2cc(F)ccc2NC(=O)OC(C)(C)C)OC1

Names & Synonyms

2-Amino-5-fluorobenzeneboronic acid, neopentyl glycol ester, N-BOC protected2-(BOC-Amino)-5-fluorophenylboronic acid, neopentyl glycol estertert-Butyl [2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-fluorophenyl]carbamatetert-butyl (2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-fluorophenyl)carbamateC16H23BFNO4
Show all synonyms
1,1-Dimethylethyl N-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-fluorophenyl]carbamatetert-butyl N-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-fluoro-phenyl]carbamate
External Identifiers
SCHEMBL29948171DTXSID601126542MFCD07776961AKOS037655645PS-9671DB-432576

Catalog Overview

tert-butyl N-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-fluorophenyl]carbamate, identified by CAS 1218791-08-2 and molecular formula C16H23BFNO4, is a sophisticated organic compound. It features a tert-butyl carbamate protecting group on an amine, a fluorine atom on the phenyl ring, and a 5,5-dimethyl-1,3,2-dioxaborinane (neopentyl glycol boronate) moiety. This structure positions it as a versatile building block in organic synthesis, particularly for reactions involving boronic esters, such as Suzuki-Miyaura cross-coupling, and for introducing protected amine and fluorine functionalities into target molecules. It is primarily...

Use Context

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Read more catalog context

tert-butyl N-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-fluorophenyl]carbamate, identified by CAS 1218791-08-2 and molecular formula C16H23BFNO4, is a sophisticated organic compound. It features a tert-butyl carbamate protecting group on an amine, a fluorine atom on the phenyl ring, and a 5,5-dimethyl-1,3,2-dioxaborinane (neopentyl glycol boronate) moiety. This structure positions it as a versatile building block in organic synthesis, particularly for reactions involving boronic esters, such as Suzuki-Miyaura cross-coupling, and for introducing protected amine and fluorine functionalities into target molecules. It is primarily intended for research and development applications.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

92.0 °C

Boiling Point

322.0 °C

Density

1.2 g/cm³

Water Solubility

1.7 × 10⁻⁴ mol/L

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information before use. This product is for research use only and not for human or animal therapeutic or diagnostic use.

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