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tert-Butyl (2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(methyl)carbamate

CAS 1351502-29-8Formula C18H27BFNO4MW 351.2PubChem 71113674

This compound is a fluorinated phenylboronic acid pinacol ester derivative, featuring a tert-butyl N-methylcarbamate group. It serves as a versatile functionalized intermediate in organic synthesis, particularly useful for Suzuki-Miyaura cross-coupling reactions in research and development.

Loading RDKit molecule structure...
InChIKey: FXWKPSFZPBXWKI-UHFFFAOYSA-NC18H27BFNO4 | MW 351.2

Chemical Identity

Molecular Formula

C18H27BFNO4

Molecular Weight

351.2 g/mol

Exact Mass

351.201717

PubChem CID

71113674

IUPAC Name

tert-butyl N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methylcarbamate

SMILES String

CN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

Names & Synonyms

tert-butyl N-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-methylcarbamate
External Identifiers
SCHEMBL14241986

Catalog Overview

tert-Butyl (2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(methyl)carbamate, identified by CAS 1351502-29-8, is a complex organic molecule with the chemical formula C18H27BFNO4 and a molecular weight of 351. 20 g/mol. It incorporates a 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl moiety, which is a pinacol ester of a fluorinated phenylboronic acid, and a tert-butyl N-methylcarbamate group. This structure makes it a valuable building block in synthetic chemistry, especially for constructing more complex molecules through carbon-carbon bond formation reactions.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

tert-Butyl (2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)(methyl)carbamate, identified by CAS 1351502-29-8, is a complex organic molecule with the chemical formula C18H27BFNO4 and a molecular weight of 351.20 g/mol. It incorporates a 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl moiety, which is a pinacol ester of a fluorinated phenylboronic acid, and a tert-butyl N-methylcarbamate group. This structure makes it a valuable building block in synthetic chemistry, especially for constructing more complex molecules through carbon-carbon bond formation reactions. Its boronate ester functionality allows for participation in various cross-coupling reactions, while the carbamate group can serve as a protecting group or be further derivatized. This compound is intended for research use only.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White to off-white solid

Physical State

Solid

Melting Point

110.0 °C

Boiling Point

380.0 °C

Density

1.2 g/cm³

Water Solubility

Slightly soluble

Flash Point

205.0 °C

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. Consult 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.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

897017-00-4CAS 897017-00-4
1092563-48-8CAS 1092563-48-8
1251529-11-9CAS 1251529-11-9

Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293190GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.