Benzyl 2-(diethoxyphosphoryl)acetate - ≥95% , CAS No.7396-44-3

CAS: 7396-44-3 Cat. No.: B590048 Formula: C₁₃H₁₉O₅P Peso molecolare: 286.27

GRADE & PURITY ≥95%

Synonyms

SCHEMBL5849992 | (Diethoxy-phosphoryl)acetic acid benzyl ester | (Diethoxy-phosphoryl)-acetic acid benzyl ester | Benzyl 2-(diethoxyphosphoryl)acetate | OTRQFHJPBPUOES-UHFFFAOYSA-N | Acetic acid, (diethoxyphosphinyl)-, phenylmethyl ester | diethyl (benzyl

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

SCHEMBL5849992 | (Diethoxy-phosphoryl)acetic acid benzyl ester | (Diethoxy-phosphoryl)-acetic acid benzyl ester | Benzyl 2-(diethoxyphosphoryl)acetate | OTRQFHJPBPUOES-UHFFFAOYSA-N | Acetic acid, (diethoxyphosphinyl)-, phenylmethyl ester | diethyl (benzyl

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CCOP(=O)(CC(=O)OCC1=CC=CC=C1)OCC
• IUPAC Name: benzyl 2-diethoxyphosphorylacetate
• InChIKey: OTRQFHJPBPUOES-UHFFFAOYSA-N
• INCHI: 1S/C13H19O5P/c1-3-17-19(15,18-4-2)11-13(14)16-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
• Isomeri SMILES: CCOP(=O)(CC(=O)OCC1=CC=CC=C1)OCC
• Peso molecolare: 286.27
• Reaxy-Rn: 2564283
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2564283&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Dialkyl alkylphosphonates Phosphonic acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Dialkyl alkylphosphonate - Phosphonic acid diester - Phosphonic acid ester - Organophosphonic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organophosphorus compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Peso molecolare: 286.260 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 286.097 Da
• Monoisotopic Mass: 286.097 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 302.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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