Cas no 779342-75-5 ((E)-tert-Butyl 4-chlorobenzylidenecarbamate)

(E)-tert-Butyl 4-chlorobenzylidenecarbamate is a chemically stable carbamate derivative featuring a tert-butoxycarbonyl (Boc) protecting group and a 4-chlorobenzylidene moiety. This compound is primarily utilized in organic synthesis, particularly in peptide and medicinal chemistry, where the Boc group serves as a temporary protecting agent for amines, enabling selective reactions. The presence of the 4-chlorophenyl group enhances its reactivity in cross-coupling and condensation reactions. Its crystalline solid form ensures ease of handling and storage. The compound’s well-defined structure and high purity make it a reliable intermediate for constructing complex molecular frameworks, particularly in pharmaceutical research and fine chemical applications.
(E)-tert-Butyl 4-chlorobenzylidenecarbamate structure
779342-75-5 structure
Product Name:(E)-tert-Butyl 4-chlorobenzylidenecarbamate
CAS No:779342-75-5
MF:C12H14ClNO2
MW:239.698062419891
CID:1090047
PubChem ID:11160790
Update Time:2025-05-23

(E)-tert-Butyl 4-chlorobenzylidenecarbamate Chemical and Physical Properties

Names and Identifiers

    • (E)-tert-Butyl 4-chlorobenzylidenecarbamate
    • A865116
    • 779342-75-5
    • TERT-BUTYL N-[(4-CHLOROPHENYL)METHYLIDENE]CARBAMATE
    • [(4-chlorophenyl)methylene]carbamic acid 1,1-dimethylethyl ester
    • tert-butyl4-chlorobenzylidenecarbamate
    • Tert-butyl (NE)-N-[(4-chlorophenyl)methylidene]carbamate
    • SCHEMBL20521947
    • Carbamic acid, [(4-chlorophenyl)methylene]-, 1,1-dimethylethyl ester
    • SCHEMBL1699068
    • 685132-77-8
    • (E)-tert-Butyl4-chlorobenzylidenecarbamate
    • EN300-7457055
    • tert-butyl 4-chlorobenzylidenecarbamate
    • DTXSID50457308
    • Carbamic acid, N-?[(4-?chlorophenyl)?methylene]?-?, 1,?1-?dimethylethyl ester
    • MDL: MFCD11041302
    • Inchi: 1S/C12H14ClNO2/c1-12(2,3)16-11(15)14-8-9-4-6-10(13)7-5-9/h4-8H,1-3H3/b14-8+
    • InChI Key: NZWWXKWBUQUIIT-RIYZIHGNSA-N
    • SMILES: ClC1C=CC(=CC=1)/C=N/C(=O)OC(C)(C)C

Computed Properties

  • Exact Mass: 239.0713064g/mol
  • Monoisotopic Mass: 239.0713064g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 263
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 38.7?2

(E)-tert-Butyl 4-chlorobenzylidenecarbamate Pricemore >>

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Additional information on (E)-tert-Butyl 4-chlorobenzylidenecarbamate

(E)-tert-Butyl 4-chlorobenzylidenecarbamate (CAS No. 779342-75-5): A Comprehensive Overview

(E)-tert-Butyl 4-chlorobenzylidenecarbamate, identified by the CAS registry number 779342-75-5, is a compound of significant interest in the fields of organic chemistry and materials science. This compound, with its unique structure and properties, has garnered attention due to its potential applications in various industries. In this article, we delve into the structural characteristics, synthesis methods, applications, and recent research findings related to this compound.

The chemical structure of (E)-tert-butyl 4-chlorobenzylidenecarbamate consists of a tert-butyl group attached to a carbamate moiety, which is further connected to a chlorobenzaldehyde group via an imine linkage. The (E) configuration indicates that the substituents on either side of the double bond are opposite to each other, which influences the compound's physical and chemical properties. This configuration is crucial for its stability and reactivity in different chemical environments.

Recent studies have highlighted the importance of understanding the synthesis pathways of (E)-tert-butyl 4-chlorobenzylidenecarbamate. Researchers have explored various methods to optimize its synthesis, including the use of catalytic systems and microwave-assisted reactions. These advancements have not only improved the yield but also reduced the reaction time, making it more feasible for large-scale production.

The application of (E)-tert-butyl 4-chlorobenzylidenecarbamate spans across multiple domains. In materials science, it has been utilized as a precursor for synthesizing advanced polymers and coatings due to its ability to form stable cross-linked structures. Additionally, its role in drug delivery systems has been explored, where it serves as a biocompatible material for controlled release applications.

In the field of agriculture, recent research has focused on evaluating the potential of (E)-tert-butyl 4-chlorobenzylidenecarbamate as a component in pesticides and herbicides. Its ability to interact with specific enzymes involved in plant growth regulation has shown promise in developing eco-friendly agricultural solutions.

The toxicological profile of (E)-tert-butyl 4-chlorobenzylidenecarbamate has also been a subject of recent investigations. Studies conducted under controlled laboratory conditions have indicated that it exhibits low toxicity when exposed to mammalian cells, making it suitable for applications where human exposure is a concern.

In conclusion, (E)-tert-butyl 4-chlorobenzylidenecarbamate (CAS No. 779342-75-5) stands out as a versatile compound with diverse applications across various industries. Ongoing research continues to uncover new insights into its properties and potential uses, solidifying its position as an important molecule in modern chemistry.

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