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tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-isoindole-2-carboxylate - 97%, high purity , CAS No.1035235-28-9

COA

Grade & Purity:

≥97%

Cas Number: 1035235-28-9
Molecular Weight: 345.25
EC Number: 830-457-9
MDL number: MFCD16652360
PubChem CID: 59463255

In stock

Item Number

T626621

Grouped product items
SKU	Size	Availability	Price
T626621-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$115.90
T626621-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$231.90
T626621-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$338.90
T626621-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90
T626621-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,426.90

Basic Description

Synonyms	tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2h-isoindole-2-carboxylate \| 1035235-28-9 \| tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-isoindole-2-carboxylate \| SCHEMBL3598269 \| CS-0048243 \| N-BOC-isoi
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindoles
Intermediate Tree Nodes	Not available
Direct Parent	Isoindoles
Alternative Parents	Isoindolines Benzenoids Dioxaborolanes Carbamate esters Boronic acid esters Tertiary amines Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoindoline - Isoindole - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Carbamic acid ester - Boronic acid derivative - Tertiary amine - Oxacycle - Azacycle - Organic metalloid salt - Organonitrogen compound - Organic metalloid moeity - Amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
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 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate
INCHI	InChI=1S/C19H28BNO4/c1-17(2,3)23-16(22)21-11-13-9-8-10-15(14(13)12-21)20-24-18(4,5)19(6,7)25-20/h8-10H,11-12H2,1-7H3
InChIKey	OFSNRLCTQYDTQE-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=C3CN(CC3=CC=C2)C(=O)OC(C)(C)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=C3CN(CC3=CC=C2)C(=O)OC(C)(C)C
Alternate CAS	1035235-28-9
PubChem CID	59463255
Molecular Weight	345.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	345.200 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	345.211 Da
Monoisotopic Mass	345.211 Da
Topological Polar Surface Area	48.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	512.000
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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