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Methyl 1-benzyl-1H-1,2,4-triazole-3-carboxylate is a chemical compound characterized by the molecular formula C12H12N4O2. It is a derivative of the 1,2,4-triazole ring system, a heterocyclic compound that is widely utilized in medicinal chemistry. methyl 1-benzyl-1H-1,2,4-triazole-3-carboxylate is recognized for its role as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds, making it a valuable building block for the development of new and potentially beneficial molecules. Due to its chemical nature, it is essential to exercise proper safety measures during its handling and application.

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  • 1346809-15-1 Structure
  • Basic information

    1. Product Name: methyl 1-benzyl-1H-1,2,4-triazole-3-carboxylate
    2. Synonyms: methyl 1-benzyl-1H-1,2,4-triazole-3-carboxylate
    3. CAS NO:1346809-15-1
    4. Molecular Formula: C11H11N3O2
    5. Molecular Weight: 217.22394
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1346809-15-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 389.7±35.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.23±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 0.45±0.50(Predicted)
    10. CAS DataBase Reference: methyl 1-benzyl-1H-1,2,4-triazole-3-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: methyl 1-benzyl-1H-1,2,4-triazole-3-carboxylate(1346809-15-1)
    12. EPA Substance Registry System: methyl 1-benzyl-1H-1,2,4-triazole-3-carboxylate(1346809-15-1)
  • 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: 1346809-15-1(Hazardous Substances Data)

1346809-15-1 Usage

Uses

Used in Pharmaceutical Synthesis:
Methyl 1-benzyl-1H-1,2,4-triazole-3-carboxylate is used as a key intermediate in the pharmaceutical industry for the synthesis of various drugs. Its unique structure and properties allow it to be incorporated into the molecular frameworks of new pharmaceuticals, potentially enhancing their therapeutic effects and pharmacological profiles.
Used in Agrochemical Production:
In the agrochemical sector, methyl 1-benzyl-1H-1,2,4-triazole-3-carboxylate is utilized as an intermediate in the production of various agrochemicals. Its incorporation into these compounds can contribute to the development of more effective and targeted agrochemicals for crop protection and enhancement of agricultural productivity.
Used in Organic Chemistry Research:
Methyl 1-benzyl-1H-1,2,4-triazole-3-carboxylate is also used as a versatile building block in organic chemistry research. It serves as a starting material for the synthesis of a wide range of organic compounds, including those with potential applications in materials science, chemical biology, and other specialized fields.
Used in Chemical Intermediates for Diverse Industries:
Beyond its direct applications, methyl 1-benzyl-1H-1,2,4-triazole-3-carboxylate is employed as a chemical intermediate in various industries. Its ability to be modified and incorporated into different molecular structures makes it a valuable component in the synthesis of specialty chemicals, fine chemicals, and other complex organic molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 1346809-15-1 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,4,6,8,0 and 9 respectively; the second part has 2 digits, 1 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1346809-15:
(9*1)+(8*3)+(7*4)+(6*6)+(5*8)+(4*0)+(3*9)+(2*1)+(1*5)=171
171 % 10 = 1
So 1346809-15-1 is a valid CAS Registry Number.

1346809-15-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 1-benzyl-1,2,4-triazole-3-carboxylate

1.2 Other means of identification

Product number -
Other names methyl 1-benzyl-1H-1,2,4-triazole-3-carboxylate

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:1346809-15-1 SDS

1346809-15-1Downstream Products

1346809-15-1Relevant articles and documents

INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE

-

Paragraph 0452-0454, (2021/03/13)

Disclosed herein are compounds which inhibit RIPK1, pharmaceutical compositions, and methods of treatment of RIPK1 -mediated diseases, such as neurodegenerative disorders, inflammatory disorders, and cancer.

O-(triazolyl)methyl carbamates as a novel and potent class of Fatty Acid Amide Hydrolase (FAAH) inhibitors

Colombano, Giampiero,Albani, Clara,Ottonello, Giuliana,Ribeiro, Alison,Scarpelli, Rita,Tarozzo, Glauco,Daglian, Jennifer,Jung, Kwang-Mook,Piomelli, Daniele,Bandiera, Tiziano

supporting information, p. 380 - 395 (2015/02/05)

Inhibition of fatty acid amide hydrolase (FAAH) activity is under investigation as a valuable strategy for the treatment of several disorders, including pain and drug addiction. A number of potent FAAH inhibitors belonging to different chemical classes have been disclosed to date; O-aryl carbamates are one of the most representative families. In the search for novel FAAH inhibitors, a series of O-(1,2,3-triazol-4-yl)methyl carbamate derivatives were designed and synthesized exploiting a coppercatalyzed [3+2] cycloaddition reaction between azides and alkynes (click chemistry). Exploration of the structure-activity relationships within this new class of compounds identified potent inhibitors of both rat and human FAAH with IC50 values in the single-digit nanomolar range. In addition, these derivatives showed improved stability in rat plasma and kinetic solubility in buffer with respect to the lead compound. Based on the results of the study, the novel analogues identified can be considered to be promising starting point for the development of new FAAH inhibitors with improved drug-like properties.

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