Methyl L-3-phenyllactate - ≥97%(HPLC) , CAS No.13673-95-5

CAS: 13673-95-5 Cat. No.: M138182 Peso molecular: 180.2 Número EC: 885-691-4

GRADE & PURITY ≥97%(HPLC)

Synonyms

methyl 2(S)-hydroxy-3-phenylpropionate | EN300-1174652 | Methyl-(2S)-2-hydroxy-3-phenylpropanoate | DTXSID40415351 | (2s)-methyl 2-hydroxy-3-phenylpropionate | MFCD00038224 | Q27464167 | Methyl L-3-phenyllactate | (S)-(-)-3-phenyllactic acid methyl ester

Storage

Room temperature

Shipped In

Normal

Descripción general

application：

Methyl L-3-phenyllactate can be used:

• As an intermediate in the synthesis of bortezomib analogs as 20S proteasome inhibitors.

• As a substrate in the amination of the benzylic C-H bonds and the aminated products are further used to prepare β-lactams.

• As an intermediate in one of the key synthetic steps for the preparation of YM-254890 analog, a selective Gαq/11 inhibitor.

Specifications

Sinónimos

methyl 2(S)-hydroxy-3-phenylpropionate | EN300-1174652 | Methyl-(2S)-2-hydroxy-3-phenylpropanoate | DTXSID40415351 | (2s)-methyl 2-hydroxy-3-phenylpropionate | MFCD00038224 | Q27464167 | Methyl L-3-phenyllactate | (S)-(-)-3-phenyllactic acid methyl ester

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488195299
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195299
• Sonrisas canónicas: COC(=O)C(CC1=CC=CC=C1)O
• IUPAC Name: methyl (2S)-2-hydroxy-3-phenylpropanoate
• InChIKey: NMPPJJIBQQCOOI-VIFPVBQESA-N
• INCHI: 1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m0/s1
• Isómeros SMILES: COC(=O)[C@H](CC1=CC=CC=C1)O
• WGK Alemania: 3
• Peso molecular: 180.2
• Reaxy-Rn: 2212291
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212291&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Benzene and substituted derivatives Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fatty acid ester - Benzenoid - Monocyclic benzene moiety - Methyl ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Propiedades químicas y físicas

• Peso molecular: 180.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• 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