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Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-, also known as Boc-4-amino-methylbenzoic acid, is a compound belonging to the class of benzoic acids and derivatives. It features a unique molecular structure that includes a benzene ring with a methylamino group protected by a tert-butoxycarbonyl (Boc) group. This chemical is widely utilized in the pharmaceutical and biotechnology industries for its versatile applications.

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  • 210963-04-5 Structure
  • Basic information

    1. Product Name: Benzoic acid, 4-[[[(1,1-diMethylethoxy)carbonyl]MethylaMino]Methyl]-
    2. Synonyms: 4-[[Boc-(methylamino)]methyl]benzoic acid;4-(((tert-Butoxycarbonyl);4-((tert-butoxycarbonyl(Methyl)aMino)Methyl)benzoic acid;4-((tert-butoxycarbonyl)Methyl)benzoic acid;Benzoic acid, 4-[[[(1,1-diMethylethoxy)carbonyl]MethylaMino]Methyl]-
    3. CAS NO:210963-04-5
    4. Molecular Formula: C14H19NO4
    5. Molecular Weight: 265.30496
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 210963-04-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 402.9±34.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.163±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 4.28±0.10(Predicted)
    10. CAS DataBase Reference: Benzoic acid, 4-[[[(1,1-diMethylethoxy)carbonyl]MethylaMino]Methyl]-(CAS DataBase Reference)
    11. NIST Chemistry Reference: Benzoic acid, 4-[[[(1,1-diMethylethoxy)carbonyl]MethylaMino]Methyl]-(210963-04-5)
    12. EPA Substance Registry System: Benzoic acid, 4-[[[(1,1-diMethylethoxy)carbonyl]MethylaMino]Methyl]-(210963-04-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 210963-04-5(Hazardous Substances Data)

210963-04-5 Usage

Uses

Used in Pharmaceutical and Biotechnology Industries:
Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-, is used as a building block for the synthesis of various compounds, including peptide and nucleic acid-based products. Its Boc-protected methylamino group allows for the controlled formation of amide bonds, which are crucial in the assembly of complex biologically active molecules.
Used as a Protecting Group in Organic Synthesis:
In organic synthesis, Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-, serves as a protecting group to temporarily shield reactive functional groups from unwanted reactions. The Boc group can be selectively removed under mild acidic conditions, enabling chemists to control the reactivity of the molecule and prevent side reactions during the synthesis process.
Used in Drug Development:
Due to its unique molecular structure and properties, Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-, has potential applications in the development of new drugs. Its ability to form stable amide bonds and act as a protecting group makes it a valuable component in the design and synthesis of pharmaceutical compounds with specific therapeutic targets.
Used in Material Science:
Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-, may also find applications in the development of new materials due to its versatile chemical properties. Its potential use in the creation of novel polymers, coatings, or other materials with specific properties can contribute to advancements in various industries, such as electronics, textiles, and environmental protection.

Check Digit Verification of cas no

The CAS Registry Mumber 210963-04-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,0,9,6 and 3 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 210963-04:
(8*2)+(7*1)+(6*0)+(5*9)+(4*6)+(3*3)+(2*0)+(1*4)=105
105 % 10 = 5
So 210963-04-5 is a valid CAS Registry Number.

210963-04-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid

1.2 Other means of identification

Product number -
Other names 4-(N-t-butoxycarbonyl-N-methylamino)methylbenzoic acid

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:210963-04-5 SDS

210963-04-5Relevant articles and documents

RENIN INHIBITORS

-

, (2008/12/04)

Described are compounds which bind to aspartic proteases to inhibit their activity. They are useful in the treatment or amelioration of diseases associated with aspartic protease activity. Also described are methods of use of the compounds described herein in ameliorating or treating aspartic protease related disorders in a subject in need thereof.

RENIN INHIBITORS

-

Page/Page column 140, (2008/12/04)

Disclosed are compounds of Formula (I) wherein the R, R1, R2, R3, X, Y, A, Q, E, and G are defined herein. These compounds bind to aspartic proteases to inhibit their activity and are useful in the treatment or amelioration of diseases associated with aspartic protease activity. Also disclosed are methods of use of the compounds of Formula I for ameliorating or treating aspartic protease related disorders in a subject in need thereof.

TETRAPEPTIDE INHIBITORS OF BETA-SECRETASE

-

Page/Page column 11; 24-25, (2008/06/13)

Statine-derived peptide inhibitors of the β-secretase enzyme are provided which are useful in the treatment of Alzheimer's disease and other diseases characterized by deposition of Aβ peptide in a mammal. The compounds of the invention provide useful meth

Non-covalent polyvalent ligands by self-assembly of small glycodendrimers: A novel concept for the inhibition of polyvalent carbohydrate-protein interactions in vitro and in vivo

Thoma, Gebhard,Streiff, Markus B.,Katopodis, Andreas G.,Duthaler, Rudolf O.,Voelcker, Nicolas H.,Ehrhardt, Claus,Masson, Christophe

, p. 99 - 117 (2007/10/03)

Polyvalent carbohydrate-protein interactions occur frequently in biology, particularly in recognition events on cellular membranes. Collectively, they can be much stronger than corresponding monovalent interactions, rendering it difficult to control them with individual small molecules. Artificial macromolecules have been used as polyvalent ligands to inhibit polyvalent processes; however, both reproducible synthesis and appropriate characterization of such complex entities is demanding. Herein, we present an alternative concept avoiding conventional macromolecules. Small glycodendrimers which fulfill single molecule entity criteria self-assemble to form non-covalent nanoparticles. These particles - not the individual molecules - function as polyvalent ligands, efficiently inhibiting polyvalent processes both in vitro and in vivo. The synthesis and characterization of these glycodendrimers is described in detail. Furthermore, we report on the characterization of the non-covalent nanoparticles formed and on their biological evaluation.

BENZAMIDINE DERIVATIVES

-

, (2008/06/13)

Benzamidine derivatives of the following formulae or analogs thereof, i. e., pharmaceutically acceptable salts thereof, are provided. These compounds or salts thereof have a blood-coagulation inhibiting effect based on an excellent effect of inhibiting the action of activated blood coagulation factor X, and they are useful as anticoagulants.

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