2-Methoxyethyl Chloroformate - ≥93% , CAS No.628-12-6

CAS: 628-12-6 Cat. No.: M158778 Molecular Weight: 138.55 EC Number: 211-026-9

GRADE & PURITY ≥93%

Synonyms

2-methoxyethylchloroformate | Chloro(2-methoxyethoxy)methanone | 2-methoxyethyl carbonochloridate | SCHEMBL163984 | D89328 | AKOS015894283 | chlorocarbonic acid 2-methoxy-ethyl ester | chloroformic acid (2-methoxy-ethyl) ester | DTXSID90211880 | MFCD00058

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Reactant for:Preparation of N-bridged bicyclic sulfonamides as inhibitors of γ-secretase，Preparation of dimethoxyethyl azodicarboxylate via amidation/oxidation and application to Mitsunobu reaction，Regioselective, stereoselective, and kinetically-controlled nickel-catalyzed cyanoesterification of allenes chloroformates and TMSCN，Preparation of amino carboxamidobenzothiazoles as Lck inhibitors，Preparation of nonracemic spirooxindoles using a stereoselective three-component coupling reaction as the key step and using acylation reactions to add structural diversity.

Specifications

Synonyms

2-methoxyethylchloroformate | Chloro(2-methoxyethoxy)methanone | 2-methoxyethyl carbonochloridate | SCHEMBL163984 | D89328 | AKOS015894283 | chlorocarbonic acid 2-methoxy-ethyl ester | chloroformic acid (2-methoxy-ethyl) ester | DTXSID90211880 | MFCD00058

Specifications & Purity

≥93%

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

≥93%

Names and Identifiers

• Pubchem Sid: 488184315
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184315
• Canonical Smiles: COCCOC(=O)Cl
• IUPAC Name: 2-methoxyethyl carbonochloridate
• InChIKey: NDYYWMXJZWHRLZ-UHFFFAOYSA-N
• INCHI: 1S/C4H7ClO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3
• Isomeric SMILES: COCCOC(=O)Cl
• Molecular Weight: 138.55
• Reaxy-Rn: 1749802
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749802&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
• 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

• Sensitivity: Moisture & heat Sensitive.
• Refractive Index: 1.42
• Flash Point(°F): 138°F)
• Flash Point(°C): 59℃
• Boil Point(°C): 157-158℃
• Molecular Weight: 138.550 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 138.008 Da
• Monoisotopic Mass: 138.008 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 73.700
• 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