N-(tert-Butoxycarbonyl)-D-prolinal - ≥97% , CAS No.73365-02-3

CAS: 73365-02-3 Cat. No.: I136854 Molecular Weight: 199.25 EC Number: 624-637-4

GRADE & PURITY ≥97%

Synonyms

NSC-8032 | (R)-N-Boc-prolinal | (R)-2-formyl-pyrrolidine-1-carboxylic acid t-butyl ester | tert-butyl (R)-2-formylpyrrolidine-1-carboxylate | B5395 | tert-butyl (2R)-2-formylpyrrolidine-1-carboxylate | (r)-(+)-1-boc-2-pyrrolidinecarbaldehyde | (R)-2-Formy

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

NSC-8032 | (R)-N-Boc-prolinal | (R)-2-formyl-pyrrolidine-1-carboxylic acid t-butyl ester | tert-butyl (R)-2-formylpyrrolidine-1-carboxylate | B5395 | tert-butyl (2R)-2-formylpyrrolidine-1-carboxylate | (r)-(+)-1-boc-2-pyrrolidinecarbaldehyde | (R)-2-Formy

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504764492
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764492
• Canonical Smiles: CC(C)(C)OC(=O)N1CCCC1C=O
• IUPAC Name: tert-butyl (2R)-2-formylpyrrolidine-1-carboxylate
• InChIKey: YDBPZCVWPFMBDH-MRVPVSSYSA-N
• INCHI: 1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-8H,4-6H2,1-3H3/t8-/m1/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]1C=O
• WGK Germany: 3
• Molecular Weight: 199.25
• Reaxy-Rn: 1456830
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1456830&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen 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 pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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,Heat Sensitive
• Refractive Index: 1.4618
• Specific Rotation[α]: 84° (neat)
• Flash Point(°F): >110℃
• Flash Point(°C): >110℃
• Boil Point(°C): 228℃
• Molecular Weight: 199.250 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.121 Da
• Monoisotopic Mass: 199.121 Da
• Topological Polar Surface Area: 46.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 232.000
• 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