Research chemical
CAS Number: 1218791-08-2
![tert-butyl N-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-fluorophenyl]carbamate molecular structure, CAS 1218791-08-2](/structure-images/1218791-08-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
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
Appearance
white solid
Physical State
solid
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.
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.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Melting Point
92.0 °C
Boiling Point
322.0 °C
Density
1.2 g/cm³
Water Solubility
1.698E-4 mol/L
Vapor Pressure
Estimated very low; unit not specified
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
23
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
2
Ring count
2
Aromatic rings
1
Topological polar surface area
56.79 Ų
Computed LogP
2.94
Fragment-like structure rule
No
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
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.
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.
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 RequestCompliance: standard-ruo
Shipment review: Required
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
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.