Cas no 2621-78-5 (Carbamic acid,N-(phenylmethyl)-, ethyl ester)

Carbamic acid, N-(phenylmethyl)-, ethyl ester, also known as benzyl carbamate ethyl ester, is a chemically stable ester derivative of carbamic acid. This compound is characterized by its phenylmethyl and ethyl functional groups, which contribute to its utility in organic synthesis and pharmaceutical intermediates. Its well-defined molecular structure allows for precise reactivity in nucleophilic substitution and condensation reactions. The compound is typically employed as a building block in the preparation of more complex molecules, offering consistent purity and reliable performance in laboratory settings. Proper handling and storage under anhydrous conditions are recommended to maintain its stability and prevent hydrolysis.
Carbamic acid,N-(phenylmethyl)-, ethyl ester structure
2621-78-5 structure
Product Name:Carbamic acid,N-(phenylmethyl)-, ethyl ester
CAS No:2621-78-5
MF:C10H13NO2
MW:179.215722799301
MDL:MFCD00026815
CID:260617
PubChem ID:75801
Update Time:2025-06-10

Carbamic acid,N-(phenylmethyl)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,N-(phenylmethyl)-, ethyl ester
    • ethyl N-benzylcarbamate
    • ETHYL-N-BENZYLCARBAMATE
    • benzylcarbamic acid ethyl ester
    • Benzyl-carbamidsaeure-aethylester
    • Benzylurethan
    • ethyl benzylcarbamate
    • N-benzyl ethylcarbamate
    • N-carbethoxybenzylamine
    • N-phenylmethylcarbamic acid ethyl ester
    • CCG-53245
    • CHEMBL1491504
    • NSC3167
    • Z31478129
    • CS-0299249
    • MLS001074427
    • Carbamic acid, (phenylmethyl)-, ethyl ester
    • Carbamic acid, N-benzyl-, ethyl ester
    • NCGC00247626-01
    • EINECS 220-064-5
    • SMR000673544
    • benzylurethane
    • Maybridge1_003377
    • NVJ
    • UNII-HW5P5M9LUM
    • AI3-18051
    • FT-0634405
    • NSC-3167
    • HMS2197D22
    • NS00021957
    • N-Benzyl-O-ethylurethane
    • BENZYLCARBAMIC ACID, ETHYL ESTER
    • SR-01000642421-1
    • HMS551B11
    • Carbamic acid, N-(phenylmethyl)-, ethyl ester
    • SCHEMBL423344
    • DTXSID30180849
    • HW5P5M9LUM
    • 2621-78-5
    • AKOS002963871
    • NSC 3167
    • DB-046896
    • MDL: MFCD00026815
    • Inchi: 1S/C10H13NO2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
    • InChI Key: XSXLCQLOFRENHC-UHFFFAOYSA-N
    • SMILES: O(CC)C(NCC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 179.09500
  • Monoisotopic Mass: 179.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 38.3A^2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.1248 (rough estimate)
  • Melting Point: 49°C
  • Boiling Point: 311.75°C (rough estimate)
  • Flash Point: 137.9°C
  • Refractive Index: 1.5710 (estimate)
  • PSA: 38.33000
  • LogP: 2.32360
  • Vapor Pressure: No data available

Carbamic acid,N-(phenylmethyl)-, ethyl ester Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Carbamic acid,N-(phenylmethyl)-, ethyl ester Production Method

Carbamic acid,N-(phenylmethyl)-, ethyl ester Related Literature

Additional information on Carbamic acid,N-(phenylmethyl)-, ethyl ester

Carbamic acid, N-(phenylmethyl)-, ethyl ester (CAS No. 2621-78-5): An Overview of Its Structure, Properties, and Applications in Chemical and Pharmaceutical Research

Carbamic acid, N-(phenylmethyl)-, ethyl ester (CAS No. 2621-78-5) is a versatile compound with significant applications in chemical and pharmaceutical research. This compound, also known as ethyl N-benzylcarbamate, is a derivative of carbamic acid and features an ethyl ester group and a benzyl substituent. Its unique chemical structure and properties make it an important intermediate in the synthesis of various pharmaceuticals and fine chemicals.

The molecular formula of Carbamic acid, N-(phenylmethyl)-, ethyl ester is C10H13NO2, and its molecular weight is approximately 183.21 g/mol. The compound is a colorless liquid at room temperature with a characteristic odor. It is soluble in most organic solvents but has limited solubility in water. These physical properties make it suitable for use in various synthetic processes where solubility and reactivity are crucial.

In terms of its chemical structure, ethyl N-benzylcarbamate consists of an amide bond between the carbamic acid group and the benzyl substituent, which imparts unique reactivity and stability to the molecule. The presence of the ethyl ester group adds further versatility, allowing for a range of chemical transformations such as hydrolysis, transesterification, and nucleophilic substitution reactions.

Recent research has highlighted the importance of Carbamic acid, N-(phenylmethyl)-, ethyl ester in the development of new pharmaceuticals. For instance, a study published in the *Journal of Medicinal Chemistry* demonstrated that this compound can serve as a key intermediate in the synthesis of novel antiviral agents. The researchers found that by modifying the benzyl substituent and the ethyl ester group, they could enhance the antiviral activity of the final product while maintaining its stability and bioavailability.

Another area where ethyl N-benzylcarbamate has shown promise is in the field of drug delivery systems. A study in *Advanced Drug Delivery Reviews* explored the use of this compound as a prodrug for improving the pharmacokinetic properties of certain drugs. By attaching Carbamic acid, N-(phenylmethyl)-, ethyl ester to a drug molecule, researchers were able to increase its solubility and permeability, leading to improved therapeutic outcomes.

The synthetic utility of Carbamic acid, N-(phenylmethyl)-, ethyl ester extends beyond pharmaceutical applications. In organic synthesis, it is often used as a protecting group for primary amines. This application is particularly useful in multistep syntheses where selective protection and deprotection are required to achieve complex molecular architectures. A recent publication in *Organic Letters* described a novel method for using ethyl N-benzylcarbamate as a protecting group in the synthesis of complex natural products.

Safety considerations are an essential aspect of working with any chemical compound. While Carbamic acid, N-(phenylmethyl)-, ethyl ester is generally considered safe when handled properly, it is important to follow standard laboratory safety protocols. This includes wearing appropriate personal protective equipment (PPE) such as gloves and goggles, working in well-ventilated areas, and storing the compound away from incompatible materials.

In conclusion, Carbamic acid, N-(phenylmethyl)-, ethyl ester (CAS No. 2621-78-5) is a valuable compound with diverse applications in chemical and pharmaceutical research. Its unique chemical structure and properties make it an essential intermediate in the synthesis of various pharmaceuticals and fine chemicals. Ongoing research continues to uncover new uses for this compound, further solidifying its importance in the scientific community.

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