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tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate - 97%, high purity , CAS No.1175298-09-5

COA

Grade & Purity:

≥97%

Cas Number: 1175298-09-5
Molecular Weight: 323.23
MDL number: MFCD12032213
PubChem CID: 57812318

In stock

Item Number

T627130

Grouped product items
SKU	Size	Availability	Price
T627130-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$63.90
T627130-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$134.90
T627130-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$267.90
T627130-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$533.90

Basic Description

Synonyms	1175298-09-5 \| tert-Butyl (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl)carbamate \| tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate \| tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Boronic acid derivatives
    - Subclass Boronic acid esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Boronic acid derivatives
Subclass	Boronic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Boronic acid esters
Alternative Parents	Dioxaborolanes Carbamate esters Oxacyclic compounds Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Carbamic acid ester - 1,3,2-dioxaborolane - Boronic acid ester - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate
INCHI	InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-13-10-8-9-12(11-13)18-22-16(4,5)17(6,7)23-18/h9,13H,8,10-11H2,1-7H3,(H,19,20)
InChIKey	MFPBSOYHSNYOKC-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CCCC(C2)NC(=O)OC(C)(C)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CCCC(C2)NC(=O)OC(C)(C)C
PubChem CID	57812318
Molecular Weight	323.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	323.200 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	323.227 Da
Monoisotopic Mass	323.227 Da
Topological Polar Surface Area	56.800 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	477.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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