Research chemical
Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate
CAS Number: 1002310-00-0
Product details
Identity & specification
- Molecular formula
- C19H29BClNO4
- Molecular weight
- 381.7 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
57691125
Exact Mass
381.187816
InChIKey
FVCJFSZQVPBGTE-UHFFFAOYSA-N
IUPAC Name
tert-butyl N-[1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]carbamate
SMILES String
CC(NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl
Physical Properties
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
110.0 °C
Boiling Point
350.0 °C
Density
1.2 g/cm³
Water Solubility
Insoluble
Flash Point
180.0 °C
Show more physical data
Vapor Pressure
Estimated value, unit not specified
Autoignition Temp
350.0 °C
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
26
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
3
Ring count
2
Aromatic rings
1
Topological polar surface area
56.79 Ų
Computed LogP
4.22
Fragment-like structure rule
No
Lead-like structure rule
No
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.
Catalog Facts
Structural features
This compound is a Boc-protected amine featuring a chloro-substituted phenyl ring and a pinacol boronate ester.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Primarily used as a versatile building block in organic synthesis, particularly in palladium-catalyzed cross-coupling reactions (e. g.
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
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Procurement questions
What are the key identifiers for Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate (CAS 1002310-00-0)?
Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate is identified by CAS 1002310-00-0, with molecular formula C19H29BClNO4, molecular weight 381.7, InChIKey FVCJFSZQVPBGTE-UHFFFAOYSA-N.
Can I request a COA for CAS 1002310-00-0?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamate?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1002310-00-0 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.