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METHYL-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPIONATE, a chemical compound with the molecular formula C7H10N4O2, is a member of the propionate esters class and features a triazole ring in its structure. It is recognized for its versatility in organic synthesis and medicinal chemistry, serving as a fundamental building block for the creation of a wide array of pharmaceuticals, agrochemicals, and fine chemicals.

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  • 106535-19-7 Structure
  • Basic information

    1. Product Name: METHYL-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPIONATE
    2. Synonyms: METHYL-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPIONATE;methyl 3-(1,2,4-triazol-1-yl)propanoate
    3. CAS NO:106535-19-7
    4. Molecular Formula: C6H9N3O2
    5. Molecular Weight: 155.15
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 106535-19-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 290.1 °C at 760 mmHg
    3. Flash Point: 129.2 °C
    4. Appearance: /
    5. Density: 1.25 g/cm3
    6. Vapor Pressure: 0.00212mmHg at 25°C
    7. Refractive Index: 1.556
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: METHYL-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPIONATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: METHYL-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPIONATE(106535-19-7)
    12. EPA Substance Registry System: METHYL-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPIONATE(106535-19-7)
  • 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: 106535-19-7(Hazardous Substances Data)

106535-19-7 Usage

Uses

Used in Pharmaceutical Industry:
METHYL-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPIONATE is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
METHYL-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPIONATE is used as a precursor in the production of antifungal agents, herbicides, and insecticides, leveraging its chemical properties to enhance crop protection and management.
Used in Flavor and Fragrance Industry:
METHYL-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPIONATE is used as a flavoring agent in the food industry, capitalizing on its potential to impart or modify flavors in food products to meet consumer preferences and industry standards.

Check Digit Verification of cas no

The CAS Registry Mumber 106535-19-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,6,5,3 and 5 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 106535-19:
(8*1)+(7*0)+(6*6)+(5*5)+(4*3)+(3*5)+(2*1)+(1*9)=107
107 % 10 = 7
So 106535-19-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H9N3O2/c1-11-6(10)2-3-9-5-7-4-8-9/h4-5H,2-3H2,1H3

106535-19-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-(1,2,4-triazol-1-yl)propanoate

1.2 Other means of identification

Product number -
Other names methyl 3-(1H-1,2,4-triazol-1-yl)propanoate

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:106535-19-7 SDS

106535-19-7Downstream Products

106535-19-7Relevant articles and documents

Mild and efficient procedure for michael addition of n-heterocycles to,-unsaturated compounds using anhydrous K3PO4 as catalyst

Hou, Xueling,Hemit, Helimay,Yong, Jianping,Nie, Lifei,Aisa, Haji Akber

, p. 973 - 979 (2010)

Imidazole, 1,2,4-triazole, indole, and benzotriazole undergo conjugate additions with,α,β-unsaturated carbonyl compounds in the presence of anhydrous potassium phosphate at ambient temperature to afford the corresponding Michael adducts in excellent yields.

N-Methylimidazole as a promising catalyst for the aza-Michael addition reaction of N-heterocycles

Bo, Kai Liu,Wu, Qi,Xue, Qi Qian,De, Shui Lv,Xian, Fu Lin

, p. 2653 - 2659 (2007)

N-Methylimidazole has been shown to be a promising catalyst for aza-Michael reactions. Various N-heterocycles were introduced to α,β-unsaturated carbonyl compounds employing N-methylimidazole (0.05 equiv) in a highly efficient, rapid and high yielding syn

Solvent- and Catalyst-Free Aza-Michael Addition of Imidazoles and Related Heterocycles

Gobec, Florian,Kodolitsch, Katharina,Slugovc, Christian

, (2020)

This work demonstrates the scope and limitations of the aza-Michael addition of imidazoles and related heterocycles with electron deficient olefins under solvent- and catalyst-free conditions. The reaction proceeds at 80 °C within hours towards completion as long as the azole derivative is sufficiently soluble in the Michael acceptor, which has been used in small excess. Workup only comprises evaporation of surplus Michael-acceptor, and no additional solvents are necessary for purifying the products.

A fast and highly efficient protocol for Michael addition of N-heterocycles to α,β-unsaturated compound using basic ionic liquid [bmIm]OH as catalyst and green solvent

Xu, Jian-Ming,Qian, Chao,Liu, Bo-Kai,Wu, Qi,Lin, Xian-Fu

, p. 986 - 990 (2007)

A fast and green protocol for the Michael addition of N-heterocycles to α,β-unsaturated compounds at room temperature was developed using a basic ionic liquid, 1-methyl-3-butylimidazolium hydroxide, [bmIm]OH, as a catalyst and a reaction medium. The react

Poly(N-vinylimidazole) as an efficient and recyclable catalyst of the aza-Michael reaction in water

Beletskaya,Tarasenko,Khokhlov,Tyurin

scheme or table, p. 461 - 467 (2010/07/06)

Poly(N-vinylimidazole) effectively catalyzed Michael addition of 1H-1,2,4-triazole, 3,5-dimethyl-1H-1,2,4-triazole, uracil, oxazolidin-2-one, and succinimide to but-3-en-2-one, cyclohex-2-en-1-one, methyl acrylate, and methyl vinyl sulfone in water at roo

Promiscuous acylase-catalyzed aza-Michael additions of aromatic N-heterocycles in organic solvent

Qian, Chao,Xu, Jian-Ming,Wu, Qi,Lv, De-Shui,Lin, Xian-Fu

, p. 6100 - 6104 (2008/03/12)

A novel and efficient enzymatic promiscuous protocol for aza-Michael addition of aromatic N-heterocycles to α,β-unsaturated compounds has been described. The reactions were catalyzed by promiscuous zinc-active-site acylase in organic solvent at 50 °C. The strategy works with a broad range of N-heterocycles to afford the corresponding Michael adduct with good yields in several hours (0.5-6 h). This catalytic promiscuity is the first example of metal-active-site enzyme-catalyzed aza-Michael addition for aromatic N-heterocycles.

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