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tert-Butyl (3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate - 97%, high purity , CAS No.1256256-45-7

COA

Grade & Purity:

≥97%

Cas Number: 1256256-45-7
Molecular Weight: 337.19
PubChem CID: 59578631

In stock

Item Number

T586793

Grouped product items
SKU	Size	Availability	Price
T586793-250mg	250mg	3	$33.90
T586793-1g	1g	3	$110.90
T586793-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$495.90
T586793-25g	25g	2	$2,226.90

Basic Description

Synonyms	4-(Boc-amino)-2-fluorobenzeneboronic acid pinacol ester
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylcarbamic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylcarbamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Phenylcarbamic acid esters
Alternative Parents	Fluorobenzenes Aryl fluorides Dioxaborolanes Carbamate esters Boronic acid esters Oxacyclic compounds Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylcarbamic acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid ester - Carbamic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organic metalloid moeity - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
INCHI	InChI=1S/C17H25BFNO4/c1-15(2,3)22-14(21)20-11-8-9-12(13(19)10-11)18-23-16(4,5)17(6,7)24-18/h8-10H,1-7H3,(H,20,21)
InChIKey	FALNYBWTRBHWID-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)NC(=O)OC(C)(C)C)F
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)NC(=O)OC(C)(C)C)F
PubChem CID	59578631
Molecular Weight	337.19

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
I2306478	Certificate of Analysis	Aug 24, 2023	T586793
I2306463	Certificate of Analysis	Aug 24, 2023	T586793
I2306462	Certificate of Analysis	Aug 24, 2023	T586793

Chemical and Physical Properties

Molecular Weight	337.200 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	337.186 Da
Monoisotopic Mass	337.186 Da
Topological Polar Surface Area	56.800 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	462.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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