N-Boc-D-proline methyl ester - ≥95% , CAS No.73323-65-6

CAS: 73323-65-6 Cat. No.: N135894 分子式: C₁₁H₁₉NO₄ 分子量: 229.27

グレード＆純度 ≥95%

Synonyms

1-TERT-BUTYL 2-METHYL (2R)-PYRROLIDINE-1,2-DICARBOXYLATE | SCHEMBL1486184 | MFCD00190828 | O1-tert-butyl O2-methyl (2R)-pyrrolidine-1,2-dicarboxylate | AM20100703 | boc-d-proline methyl ester | Methyl (R)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylate |

Storage

Room temperature

Shipped In

Normal

仕様

同義語

1-TERT-BUTYL 2-METHYL (2R)-PYRROLIDINE-1,2-DICARBOXYLATE | SCHEMBL1486184 | MFCD00190828 | O1-tert-butyl O2-methyl (2R)-pyrrolidine-1,2-dicarboxylate | AM20100703 | boc-d-proline methyl ester | Methyl (R)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylate |

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

488191791

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488191791

カノニカル・スマイル

CC(C)(C)OC(=O)N1CCCC1C(=O)OC

IUPAC Name

1-O-tert-butyl 2-O-methyl (2R)-pyrrolidine-1,2-dicarboxylate

InChIKey

WVDGSSCWFMSRHN-MRVPVSSYSA-N

INCHI

1S/C11H19NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h8H,5-7H2,1-4H3/t8-/m1/s1

異性体SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OC

分子量

229.27

Reaxy-Rn

4686324

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4686324&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 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
• 分類: 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 Methyl esters Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen 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 - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: Heat Sensitive
• 屈折率: 1.45
• 比旋光度［α］: 66° (C=1,MeOH)
• 引火点（°C）: 128 °C
• 分子量: 229.270 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• 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: 282.000
• 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

よくある質問

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 73323-65-6, the molecular formula is C11H19NO4, and the molecular weight is 229.27 g/mol. InChIKey WVDGSSCWFMSRHN-MRVPVSSYSA-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.