(R)-(+)-3-Boc-2,2-dimethyloxazolidine-4-carboxaldehyde - ≥95% , CAS No.95715-87-0

CAS: 95715-87-0 Cat. No.: R467482 Molecular Weight: 229.27 EC Number: 627-510-1 PubChem CID: 178792

GRADE & PURITY ≥95%

Synonyms

(R)-TERT-BUTYL4-FORMYL-2,2-DIMETHYLOXAZOLIDINE-3-CARBOXYLATE | PNJXYVJNOCLJLJ-QMMMGPOBSA-N | (R)-N-BOC-4-FORMYL-2,2-DIMETHYL-OXAZOLIDINE | 1,1-dimethylethyl (R,S)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate | EN300-177025 | 2-Methyl-2-propanyl (4R)-4-f

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Description

Employed in the synthesis of fluorinated analogs of glutemic and glutamine.

Specifications

Synonyms

(R)-TERT-BUTYL4-FORMYL-2, 2-DIMETHYLOXAZOLIDINE-3-CARBOXYLATE | PNJXYVJNOCLJLJ-QMMMGPOBSA-N | (R)-N-BOC-4-FORMYL-2, 2-DIMETHYL-OXAZOLIDINE | 1, 1-dimethylethyl (R, S)-4-formyl-2, 2-dimethyl-3-oxazolidinecarboxylate | EN300-177025 | 2-Methyl-2-propanyl (4R)-4-f

Specifications & Purity

≥95%

Storage

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.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488188508
• Canonical Smiles: CC1(N(C(CO1)C=O)C(=O)OC(C)(C)C)C
• IUPAC Name: tert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• InChIKey: PNJXYVJNOCLJLJ-QMMMGPOBSA-N
• INCHI: 1S/C11H19NO4/c1-10(2,3)16-9(14)12-8(6-13)7-15-11(12,4)5/h6,8H,7H2,1-5H3/t8-/m0/s1
• Isomeric SMILES: CC1(N([C@H](CO1)C=O)C(=O)OC(C)(C)C)C
• PubChem CID: 178792
• Molecular Weight: 229.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolidines
      • Subclass Oxazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Oxazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolidines
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Carbamic acid ester - Oxazolidine - Carbonic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxazolidines. These are compounds containing an oxazolidine moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, one nitrogen, three carbon atoms, and two double bonds.
• 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

• Sensitivity: Air sensitive
• Refractive Index: n20/D 1.445 (lit.)
• Boil Point(°C): 67 °C/0.3 mmHg (lit.)
• Molecular Weight: 229.270 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 229.131 Da
• Monoisotopic Mass: 229.131 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 293.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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