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(S)-BOC-3 4-DIMETHOXY-BETA-PHE-OH is a BOC-protected amino acid, specifically an isomer of 3,4-Dimethoxy-beta-phenylalanine (PHE). It is characterized by the presence of a BOC group that protects the amino acid during peptide synthesis, allowing for its easy removal afterward without affecting the main structure. The dimethoxy groups enhance its lipophilicity, potentially aiding in the crossing of biological membranes, while the hydroxyl (OH) group suggests its suitability for further organic reactions. (S)-BOC-3 4-DIMETHOXY-BETA-PHE-OH's properties and applications are largely determined by its unique structural features.

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  • (S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(3,4-DIMETHOXYPHENYL)PROPANOIC ACID

    Cas No: 499995-84-5

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  • 499995-84-5 Structure
  • Basic information

    1. Product Name: (S)-BOC-3 4-DIMETHOXY-BETA-PHE-OH
    2. Synonyms: (s)-boc-3,4-dimethoxy-β-phe-oh;Boc-b-Phe(3,4-dimethoxy)-OH;(S)-3-(Boc-amino)-3-(3,4-methoxyphenyl)propionic acid, Boc-3,4-dimethoxy-D-β-phenylalanine;Boc-3,4-DiMethoxy-L-b-phenylalanine;(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(S)-3-(tert-butoxycarbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid;(Tert-Butoxy)Carbonyl (S)-3-Amino-3-(3,4-dimethoxy-phenyl)propionic acid
    3. CAS NO:499995-84-5
    4. Molecular Formula: C16H23NO6
    5. Molecular Weight: 325.359
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 499995-84-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 483.9±45.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.174±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 4.38±0.10(Predicted)
    10. CAS DataBase Reference: (S)-BOC-3 4-DIMETHOXY-BETA-PHE-OH(CAS DataBase Reference)
    11. NIST Chemistry Reference: (S)-BOC-3 4-DIMETHOXY-BETA-PHE-OH(499995-84-5)
    12. EPA Substance Registry System: (S)-BOC-3 4-DIMETHOXY-BETA-PHE-OH(499995-84-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 499995-84-5(Hazardous Substances Data)

499995-84-5 Usage

Uses

Used in Pharmaceutical Industry:
(S)-BOC-3 4-DIMETHOXY-BETA-PHE-OH is used as a protected amino acid in peptide synthesis for the development of new pharmaceutical compounds. The BOC protection allows for the synthesis of complex peptide structures without premature reactivity, ensuring the stability and integrity of the final product.
Used in Scientific Research:
(S)-BOC-3 4-DIMETHOXY-BETA-PHE-OH is used as a research compound in the study of amino acid chemistry and peptide synthesis. Its unique structural attributes make it a valuable tool for understanding the interactions and reactions of amino acids in various biological and chemical contexts.
Used in Drug Delivery Systems:
(S)-BOC-3 4-DIMETHOXY-BETA-PHE-OH is used as a component in the design of drug delivery systems, particularly for compounds that require enhanced lipophilicity to improve their ability to cross biological membranes. Its structural features can be exploited to create more effective and targeted drug delivery platforms.
Used in Organic Synthesis:
(S)-BOC-3 4-DIMETHOXY-BETA-PHE-OH is used as a starting material or intermediate in the synthesis of complex organic molecules. The presence of the hydroxyl (OH) group makes it a versatile building block for further chemical reactions, leading to the development of novel compounds with potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 499995-84-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,9,9,9,9 and 5 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 499995-84:
(8*4)+(7*9)+(6*9)+(5*9)+(4*9)+(3*5)+(2*8)+(1*4)=265
265 % 10 = 5
So 499995-84-5 is a valid CAS Registry Number.

499995-84-5 Well-known Company Product Price

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  • Sigma-Aldrich

  • (04542)  (S)-Boc-3,4-dimethoxy-β-Phe-OH  ≥98.0% (HPLC)

  • 499995-84-5

  • 04542-500MG-F

  • 3,588.39CNY

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499995-84-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name (3S)-3-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

1.2 Other means of identification

Product number -
Other names Boc-3,4-Dimethoxy-L-b-phenylalanine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:499995-84-5 SDS

499995-84-5Upstream product

499995-84-5Downstream Products

499995-84-5Relevant articles and documents

New entry to the asymmetric synthesis of (-)-lasubine I and (+)-subcosine I

Yamazaki, Naoki,Atobe, Masakazu,Kibayashi, Chihiro,Aoyagi, Sakae

scheme or table, p. 433 - 439 (2009/12/05)

A new synthetic entry to (-)-lasubine I and (+)-subcosine I has been established by employing the (S)-allylalkoxy benzylamine as a chiral synthon. The synthesis involves the formation of an α,β-unsaturated lactone by RCM reaction followed by an intramolec

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