Boc-D-Pro-OH - ≥98% , CAS No.37784-17-1

CAS: 37784-17-1 Cat. No.: B110967 Fórmula: C₁₀H₁₇NO₄ Peso molecular: 215.25 Beilstein Registry Number: 5744801 Número CE: 805-206-1

GRAU & PUREZA ≥98%

Synonyms

AKOS005258730 | (2R)-N-BOC-proline | (2R)-Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester | EN300-67292 | (r)-n-boc-proline | (R)-Pyrrolidine-1,2-dicarboxylic acid-1-tert-butyl ester | Boc-3,4-dihydro-D-proline | Boc-D-proline | N-ALPHA-T-BOC-D-PROLI

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Especificações

Sinónimos

AKOS005258730 | (2R)-N-BOC-proline | (2R)-Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester | EN300-67292 | (r)-n-boc-proline | (R)-Pyrrolidine-1,2-dicarboxylic acid-1-tert-butyl ester | Boc-3,4-dihydro-D-proline | Boc-D-proline | N-ALPHA-T-BOC-D-PROLI

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504759852

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759852

Sorrisos canónicos

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

IUPAC Name

(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

InChIKey

ZQEBQGAAWMOMAI-SSDOTTSWSA-N

INCHI

1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1

SMILES isoméricas

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

WGK Alemanha

3

Peso molecular

215.25

Beilstein

5744801

Reaxy-Rn

479315

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=479315&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Proline and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Proline and derivatives
• Alternative Parents: Pyrrolidine carboxylic acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Proline or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Propriedades químicas e físicas

• Solubilidade: Solubility in Acetic acid ；almost transparency
• Sensibilidade: heat sensitive
• Rotação específica [α]: 60 ° (C=2, AcOH)
• Ponto de fusão (°C): 135°C
• Peso molecular: 215.250 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.116 Da
• Monoisotopic Mass: 215.116 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 269.000
• 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