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(2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0²,⁶]dodeca-2(6),7-dien-10-yl}-4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl acetate - 97%, high purity , CAS No.1346675-25-9

COA

Grade & Purity:

≥97%

Cas Number: 1346675-25-9
Molecular Weight: 496.38
PubChem CID: 67016232

In stock

Item Number

D628414

Grouped product items
SKU	Size	Availability	Price
D628414-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$321.90
D628414-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$513.90
D628414-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$856.90
D628414-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,543.90

Basic Description

Synonyms	1346675-25-9 \| 2-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)-4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate \| [2-(7,7-dimethyl-4-oxo-1,2,6,8-tetrahydrocyclopenta[3,4]pyrrolo[3,5-b]pyrazi
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Alpha amino acids and derivatives Fluorobenzenes Substituted pyrroles Piperazines N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Dioxaborolanes Boronic acid esters Trialkylamines Lactams Carboxylic acid esters Vinyl fluorides Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Fluoroalkenes Enamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organoboron compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzyloxycarbonyl - Alpha-amino acid or derivatives - Halobenzene - Fluorobenzene - Substituted pyrrole - Piperazine - N-acyl-amine - 1,4-diazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - 1,3,2-dioxaborolane - Boronic acid ester - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxylic acid ester - Carboxamide group - Boronic acid derivative - Amino acid or derivatives - Oxacycle - Azacycle - Organic metalloid salt - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl fluoride - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organofluoride - Organoboron compound - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
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	[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
INCHI	InChI=1S/C27H34BFN2O5/c1-16(32)34-15-19-20(28-35-26(4,5)27(6,7)36-28)11-18(29)12-21(19)31-9-8-30-22(24(31)33)10-17-13-25(2,3)14-23(17)30/h10-12H,8-9,13-15H2,1-7H3
InChIKey	XGECHGJBDGZREI-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2COC(=O)C)N3CCN4C5=C(CC(C5)(C)C)C=C4C3=O)F
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2COC(=O)C)N3CCN4C5=C(CC(C5)(C)C)C=C4C3=O)F
PubChem CID	67016232
Molecular Weight	496.38

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