Benzyloxyacetyl chloride - ≥95% , CAS No.19810-31-2

CAS: 19810-31-2 Cat. No.: B113756 Molecular Weight: 184.62 Beilstein Registry Number: 1947363 EC Number: 629-534-8

GRADE & PURITY ≥95%

Synonyms

2-benzyloxyacetyl chloride | benzyloxy acetylchloride | 2-benzyloxy acetyl chloride | benzyloxyacetic acid chloride | (benzyloxy)acetylchloride | FT-0622858 | (benzyloxy)acetyl chloride | AMY15053 | MFCD00010768 | 2-(benzyloxy)acetylchloride | CAS-40487-4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

A reagent used to construct substituted 2-azetidinones for further elaboration into annulated β-lactams. Also a commonly employed reagent for asymmetric synthesis of β-lactams.

Specifications

Synonyms

2-benzyloxyacetyl chloride | benzyloxy acetylchloride | 2-benzyloxy acetyl chloride | benzyloxyacetic acid chloride | (benzyloxy)acetylchloride | FT-0622858 | (benzyloxy)acetyl chloride | AMY15053 | MFCD00010768 | 2-(benzyloxy)acetylchloride | CAS-40487-4

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COCC(=O)Cl
• IUPAC Name: 2-phenylmethoxyacetyl chloride
• InChIKey: QISAUDWTBBNJIR-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClO2/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2
• Isomeric SMILES: C1=CC=C(C=C1)COCC(=O)Cl
• WGK Germany: 3
• UN Number: 3265
• Molecular Weight: 184.62
• Beilstein: 1947363
• Reaxy-Rn: 1947363
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1947363&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Dialkyl ethers Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Ether - Dialkyl ether - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

Chemical and Physical Properties

• Solubility: Reacts with water.
• Sensitivity: Moisture & air Sensitive.
• Refractive Index: 1.523
• Flash Point(°F): 235.4 °F
• Flash Point(°C): >110°C
• Boil Point(°C): 84-87°C
• Molecular Weight: 184.620 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 184.029 Da
• Monoisotopic Mass: 184.029 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 141.000
• 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