Boc-hyp-otbu - ≥95% , CAS No.170850-75-6

CAS: 170850-75-6 Cat. No.: B182031 Formula: C₁₄H₂₅NO₅ Molecular Weight: 287.4

GRADE & PURITY ≥95%

Synonyms

AKOS022180318 | Boc-L-hydroxyproline t-butyl ester | FD21792 | (2S, 4R)-4-hydroxy-pyrrolidine-1,2-dicarboxylic acid di-tert-butyl ester | DTXSID10428635 | (2S,4R)-4-hydroxy-pyrrolidine-1,2-dicarboxylic acid di-tert-butyl ester | OXHIVNUWGSCHBD-ZJUUUORDSA-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS022180318 | Boc-L-hydroxyproline t-butyl ester | FD21792 | (2S, 4R)-4-hydroxy-pyrrolidine-1,2-dicarboxylic acid di-tert-butyl ester | DTXSID10428635 | (2S,4R)-4-hydroxy-pyrrolidine-1,2-dicarboxylic acid di-tert-butyl ester | OXHIVNUWGSCHBD-ZJUUUORDSA-

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Canonical Smiles

CC(C)(C)OC(=O)C1CC(CN1C(=O)OC(C)(C)C)O

IUPAC Name

ditert-butyl (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate

InChIKey

OXHIVNUWGSCHBD-ZJUUUORDSA-N

INCHI

1S/C14H25NO5/c1-13(2,3)19-11(17)10-7-9(16)8-15(10)12(18)20-14(4,5)6/h9-10,16H,7-8H2,1-6H3/t9-,10+/m1/s1

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)O

Molecular Weight

287.4

Reaxy-Rn

14490932

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14490932&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Proline and derivatives Pyrrolidine carboxylic acids Carbamate esters Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

• Molecular Weight: 287.350 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 287.173 Da
• Monoisotopic Mass: 287.173 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 380.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 170850-75-6, the molecular formula is C14H25NO5, and the molecular weight is 287.4 g/mol. InChIKey OXHIVNUWGSCHBD-ZJUUUORDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.