Dibenzyl Phosphate - ≥99% , CAS No.1623-08-1

CAS: 1623-08-1 Cat. No.: D131779 分子式: C₁₄H₁₅O₄P 分子量: 278.24 Beilstein Registry Number: 6439 EC番号: 216-602-3

GRADE & PURITY ≥99%

Synonyms

SCHEMBL51316 | Dibenzyl hydrogen phosphate | MFCD00137817 | SMR001227194 | DTXCID9013402 | Phosphoric acid, dibenzyl ester | Tox21_201050 | UNII-Y65R35LZ0S | MFCD00004775 | C14H15O4P | Phosphoric acid, bis(phenylmethyl) ester | CAS-1623-08-1 | Dibenzyl hy

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Dibenzyl phosphate (DBzP) can be used:

· To promote the monoselective ortho-C-H alkylation of N-quinolyl benzamides with primary and secondary alkyl iodides.

· For the ring-opening reaction of epoxide such as benzylglycidol to synthesize dihydroxyacetone phosphate (DHAP).

· As a reactant for the synthesis of stereospecific 1,2-trans glycosyl phosphates.

Specifications

同義語

SCHEMBL51316 | Dibenzyl hydrogen phosphate | MFCD00137817 | SMR001227194 | DTXCID9013402 | Phosphoric acid, dibenzyl ester | Tox21_201050 | UNII-Y65R35LZ0S | MFCD00004775 | C14H15O4P | Phosphoric acid, bis(phenylmethyl) ester | CAS-1623-08-1 | Dibenzyl hy

仕様と純度

≥99%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%

名前と識別子

• パブケム・シド: 488184880
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184880
• カノニカル・スマイル: C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2
• IUPAC Name: dibenzyl hydrogen phosphate
• InChIKey: HDFFVHSMHLDSLO-UHFFFAOYSA-N
• INCHI: 1S/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)
• 異性体SMILES: C1=CC=C(C=C1)COP(=O)(O)OCC2=CC=CC=C2
• WGKドイツ: 3
• 分子量: 278.24
• Beilstein: 6439
• Reaxy-Rn: 2055755
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2055755&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Dialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Dialkyl phosphates
• Alternative Parents: Benzene and substituted derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dialkyl phosphate - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.
• 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water (partly), chloroform, dichloromethane, ethyl acetate, and methanol.
• 感度: Heat sensitive
• 融点（°C）: 78-80 °C
• 分子量: 278.240 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 278.071 Da
• Monoisotopic Mass: 278.071 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 270.000
• 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