[(3R,3aS,6aR)-Hydroxyhexahydrofuro[2,3-b]furanyl Succinimidyl Carbonate - ≥98% , CAS No.253265-97-3

CAS: 253265-97-3 Cat. No.: A333290 Molecular Weight: 271.23 EC Number: 813-811-7

GRADE & PURITY ≥98%

Synonyms

A]furanyl Succinimidyl Carbonate | BCP09451 | 2,5-Dioxopyrrolidin-1-yl((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl)carbonate | [(3R,3aS,6aR)-Hydroxyhexahydrofuro[2,3- | 14EY0QM9CE | A877624 | VCFNCYVHQSHFRH-MHYGZLNHSA-N | [(3R,3aS,6aR)-Hydroxyhexahydrofur

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

[(3R,3aS,6aR)-Hydroxyhexahydrofuro[2,3-b]furanyl Succinimidyl Carbonate is an intermediate of Darunavir.

Specifications

Synonyms

A]furanyl Succinimidyl Carbonate | BCP09451 | 2, 5-Dioxopyrrolidin-1-yl((3R, 3aS, 6aR)-hexahydrofuro[2, 3-b]furan-3-yl)carbonate | [(3R, 3aS, 6aR)-Hydroxyhexahydrofuro[2, 3- | 14EY0QM9CE | A877624 | VCFNCYVHQSHFRH-MHYGZLNHSA-N | [(3R, 3aS, 6aR)-Hydroxyhexahydrofur

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766135
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766135
• Canonical Smiles: C1COC2C1C(CO2)OC(=O)ON3C(=O)CCC3=O
• IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
• InChIKey: VCFNCYVHQSHFRH-MHYGZLNHSA-N
• INCHI: 1S/C11H13NO7/c13-8-1-2-9(14)12(8)19-11(15)18-7-5-17-10-6(7)3-4-16-10/h6-7,10H,1-5H2/t6-,7-,10+/m0/s1
• Isomeric SMILES: C1CO[C@H]2[C@@H]1[C@H](CO2)OC(=O)ON3C(=O)CCC3=O
• Molecular Weight: 271.23
• Reaxy-Rn: 14258994
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14258994&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furofurans
• Alternative Parents: Pyrrolidine-2-ones Oxolanes Dicarboximides Organic carbonic acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Furofuran - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Oxolane - Pyrrolidine - Carbonic acid derivative - Lactam - Azacycle - Acetal - Carboxylic acid derivative - Oxacycle - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Solubility: Soluble in Chloroform, Dichloromethane and Ethyl Acetate
• Molecular Weight: 271.220 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 271.069 Da
• Monoisotopic Mass: 271.069 Da
• Topological Polar Surface Area: 91.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 407.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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