Cas no 64318-28-1 (tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate)

Tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate is a protected amine derivative featuring a tert-butoxycarbonyl (Boc) group and a phenolic hydroxyl functionality. This compound is valuable in organic synthesis, particularly in peptide chemistry and pharmaceutical intermediates, due to the Boc group's stability under basic conditions and selective deprotection under acidic conditions. The phenolic hydroxyl group offers additional reactivity for further functionalization. Its crystalline form ensures ease of handling and purification. The compound is commonly employed in the synthesis of complex molecules, where orthogonal protection strategies are required. High purity and well-defined reactivity make it a reliable building block for research and industrial applications.
tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate structure
64318-28-1 structure
Product Name:tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CAS No:64318-28-1
MF:C13H19NO3
MW:237.294863939285
MDL:MFCD05864730
CID:58174
PubChem ID:11831452
Update Time:2025-10-30

tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate Chemical and Physical Properties

Names and Identifiers

    • N-Boc-2-(4-Hydroxyphenyl)ethylamine
    • [2-(4-Hydroxyphenyl)ethyl]carbamic acid tert-butyl ester
    • N-tert-Butoxycarbonyl Tyramine
    • N-(tert-Butoxycarbonyl)tyramine
    • N-Boc-Tyramine
    • Boc-Tyramine
    • N-TERT-BUTOXYCARBONYL TYRAMINE,WHITE SOLID
    • tert-Butyl 4-hydroxyphenethylcarbamate
    • tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
    • 2-(4-hydroxyphenyl)ethylcarbamic acid,t-butyl ester
    • 4-[2-(tert-butyloxycarbonylamino)ethyl]phenol
    • N-(t-butoxycarbonyl)-2-(4-hydroxyphenyl)-ethylamine
    • N-t-Boc-tyramine
    • tert-butyl [2-(4-hydroxyphenyl)ethyl]carbamate
    • N-Boc-4-hydroxyphenethylamine
    • N-(tert-Butoxycarbonyl)-4-hydroxyphenethylamine
    • t-Butyl [2-(4-hydroxyphenyl)ethyl]carbamate
    • Carbamic acid, [2-(4-hydroxyphenyl)ethyl]-, 1,1-dimethylethyl ester
    • N-Boc tyramine
    • Boc- Tyramine
    • PubChem13490
    • N-t-butoxycarbonyltyramine
    • N-t-butoxycarbonyl tyramine
    • ILNOTKMMDBWGOK-UHFFFAOYSA-N
    • DTXSID60474147
    • N-Boc-tyramine, 97%
    • CS-W012850
    • B3512
    • EN300-89201
    • [2-(4-hydroxy-phenyl)-ethyl]-carbamic acid tert butyl ester
    • MFCD05864730
    • 64318-28-1
    • 2-(4-hydroxyphenyl)ethylcarbamic acid, t-butyl ester
    • (E)-3-(2,5-Dimethoxyphenyl)acryloylchloride
    • t-butyl [4-hydroxyphenethyl]carbamate
    • GS-4218
    • tert-butyl[2-(4-hydroxyphenyl)ethyl]carbamate
    • tert-Butyl 2-(4-hydroxyphenyl)ethylcarbamate
    • [2-(4-hydroxy-phenyl)-ethyl]-carbamic acid tert-butyl ester
    • [2-(4-hydroxy-phenyl)ethyl]-carbamic acid tert-butyl ester
    • N-(t-butoxycarbonyl)-2-(4-hydroxyphenyl)ethylamine
    • N-tertiary butoxycarbonyltyramine
    • SY047807
    • tert-butyl[2-(4-hydroxyphenyl)-ethyl]carbamate
    • AKOS005216662
    • SCHEMBL100146
    • FT-0630013
    • [2-(4-Hydroxy-phenyl)-ethyl]carbamic acid tert-butyl ester
    • [2-(4-hydroxyphenyl)-ethyl]-carbamic acid tert-butyl ester
    • N-t-Butoxycarbonyl-2-[(4-hydroxy-phenyl)]-ethylamine
    • AM20060704
    • A8820
    • Boc-Tyramine; N-[2-(4-Hydroxyphenyl)ethyl]carbamic Acid 1,1-Dimethylethyl Ester; 2-(4-Hydroxyphenyl)ethylcarbamic Acid tert-Butyl Ester; 4-[2-(N-tert-Butoxycarbonylamino)ethyl]phenol;
    • DB-012596
    • Boc-tyramine;N-[2-(4-Hydroxyphenyl)ethyl]carbamic acid 1,1-dimethylethyl ester;2-(4-Hydroxyphenyl)ethylcarbamic acid tert-butyl este r
    • 627-786-3
    • tert-butyl N-(2-(4-hydroxyphenyl)ethyl)carbamate
    • FB19405
    • MDL: MFCD05864730
    • Inchi: 1S/C13H19NO3/c1-13(2,3)17-12(16)14-9-8-10-4-6-11(15)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,14,16)
    • InChI Key: ILNOTKMMDBWGOK-UHFFFAOYSA-N
    • SMILES: O(C(NCCC1C=CC(=CC=1)O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 237.13600
  • Monoisotopic Mass: 237.13649347g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 240
  • 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
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 2.5
  • Topological Polar Surface Area: 58.6

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Melting Point: 70.0 to 74.0 deg-C
  • PSA: 58.56000
  • LogP: 2.85030
  • Solubility: 。

tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate Security Information

tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate 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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tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate Production Method

tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate Related Literature

Additional information on tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate

tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate (CAS No. 64318-28-1): An Overview and Recent Advances

tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate (CAS No. 64318-28-1) is a versatile compound with significant applications in the fields of medicinal chemistry, pharmaceuticals, and organic synthesis. This compound, also known as Boc-protected 4-hydroxyphenethylamine, is a valuable intermediate in the synthesis of various bioactive molecules and pharmaceuticals. Its unique chemical structure and reactivity make it an essential component in the development of novel therapeutic agents.

The tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate molecule consists of a tert-butyl carbamate group attached to a 4-hydroxyphenethylamine moiety. The tert-butyl carbamate group serves as a protecting group for the amine functionality, allowing for selective reactions at other sites of the molecule. This protection is crucial in multi-step synthetic processes where the amine needs to remain unreacted until a specific stage in the synthesis.

Recent studies have highlighted the importance of tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate in the development of new drugs targeting various diseases. For instance, research published in the *Journal of Medicinal Chemistry* has shown that this compound can be used as a key intermediate in the synthesis of selective serotonin reuptake inhibitors (SSRIs), which are widely used to treat depression and anxiety disorders. The ability to selectively protect and deprotect the amine group during synthesis ensures high purity and yield of the final product, making it an attractive choice for pharmaceutical companies.

In addition to its role in SSRI synthesis, tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate has also been explored for its potential in developing new treatments for neurodegenerative diseases such as Alzheimer's and Parkinson's. A study published in *Chemical Communications* demonstrated that this compound can be modified to enhance its neuroprotective properties. By introducing specific functional groups, researchers were able to create derivatives with improved blood-brain barrier permeability and reduced toxicity, making them promising candidates for further clinical investigation.

The synthetic versatility of tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate extends beyond pharmaceutical applications. In organic synthesis, this compound serves as a building block for creating complex molecules with diverse biological activities. For example, it has been used in the synthesis of natural products with anti-inflammatory and anticancer properties. The ability to introduce various functional groups through selective reactions allows chemists to tailor the molecule to meet specific therapeutic needs.

From a safety perspective, tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate is generally considered safe for use in laboratory settings when proper handling procedures are followed. However, like any chemical compound, it should be stored and handled with care to prevent exposure and contamination. Safety data sheets (SDS) provide detailed information on handling, storage, and disposal practices to ensure safe use.

In conclusion, tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate (CAS No. 64318-28-1) is a valuable compound with a wide range of applications in medicinal chemistry and pharmaceutical development. Its unique chemical properties make it an essential intermediate in the synthesis of bioactive molecules and therapeutic agents. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in the scientific community.

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