Research chemical

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

CAS Number: 1218791-08-2

Product details

Identity & specification

Molecular formula: C16H23BFNO4
Molecular weight: 323.2 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

44717769

Exact Mass

323.170417

InChIKey

NDJMNNBHOSICOK-UHFFFAOYSA-N

SMILES String

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

Physical Properties

Appearance

white solid

Physical State

solid

Melting Point

92.0 °C

Boiling Point

322.0 °C

Density

1.2 g/cm³

Water Solubility

1.698E-4 mol/L

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Vapor Pressure

Estimated very low; unit not specified

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

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Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

56.79 Å²

Computed LogP

2.94

Fragment-like structure rule

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

N-heterocycle motif

Yes

Boronic acid motif

Yes

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

This compound is a complex organic molecule featuring a fluorophenyl group, a carbamate, and a neopentyl glycol boronate ester.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

This compound is primarily utilized as a functionalized intermediate in organic synthesis. Its boronate ester group makes it suitable for cross-coupling reactions (e. g. , Suzuki-Miyaura coupling) to form new carbon-carbon bonds.

Documentation needs

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.

Applications & Classification

Research intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

Keep container tightly closed and dry.
Store in a well-ventilated place.
Avoid contact with skin and eyes.

PPE

Respiratory protection if needed

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Stability / Reactivity

Reactivity and stability.
Carbon monoxide, carbon dioxide, boron oxides, hydrogen fluoride, nitrogen oxides.

Disposal

The product, remaining and non-recyclable solutions should be handed over to a licensed company for disposal.
Contact a professional agency with a waste disposal license to handle this substance.

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Accidental Release

Do not generate dust when collecting and disposing.
Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Synonyms & references

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

DSSTOX SUBSTANCE ID: DTXSID601126542SCHEMBL29948171DTXSID601126542MFCD07776961AKOS037655645PS-9671DB-432576

Documentation & Compliance Facts

Compliance Facts

HS Code: 293190

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

GHS pictograms

Hazard statements: H302, H315, H319

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P501, P270, P264, P280, P302+P352, P337+P313, P305+P351+P338, P362+P364, P332+P313, P301+P312+P330

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

Compliance: standard-ruo

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

Registration Status

DSL: pending; AICS: pending; ENCS: pending; ICSR: pending; TSCA: pending; IECSC: pending; INSQR: pending; REACH: pending; K-REACH: pending; SEA_Regulatory: pending

Registration values are catalog reference status cues and may require jurisdiction-specific review.

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

Ethyl 3-{[(4-fluorophenyl)sulfonyl]amino}benzoateCAS 349624-28-8

4-(2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholineCAS 1361110-63-5

N-(3-Chloropropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideCAS 2828443-90-7

2-Chloro-4-(morpholino)phenylboronic acid pinacol esterCAS 1366131-56-7

4-Chloro-2-(piperidino)pyrimidine-5-boronic acid pinacol esterCAS 2223053-68-5

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Procurement questions

What are the key identifiers for tert-butyl N-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-fluorophenyl]carbamate (CAS 1218791-08-2)?

tert-butyl N-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-fluorophenyl]carbamate is identified by CAS 1218791-08-2, with molecular formula C16H23BFNO4, molecular weight 323.2, InChIKey NDJMNNBHOSICOK-UHFFFAOYSA-N.

Can I request a COA for CAS 1218791-08-2?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for tert-butyl N-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-fluorophenyl]carbamate?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 1218791-08-2 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.