methyl 1H-1,2,3-triazole-4-carboxylate

Base Information

• Chemical Name: methyl 1H-1,2,3-triazole-4-carboxylate
• CAS No.: 4967-77-5
• Molecular Formula: C4H5N3O2
• Molecular Weight: 127.103
• Hs Code.: 2933990090
• European Community (EC) Number: 816-665-2,866-417-2
• DSSTox Substance ID: DTXSID60412928
• Nikkaji Number: J1.762.160B
• Wikidata: Q27465742
• Mol file: 4967-77-5.mol

Synonyms:4967-77-5;methyl 1H-1,2,3-triazole-4-carboxylate;877309-59-6;METHYL 1,2,3-TRIAZOLE-4-CARBOXYLATE;Methyl 2h-1,2,3-Triazole-4-Carboxylate;Methyl 2H-triazole-4-carboxylate;2H-1,2,3-Triazole-4-carboxylic acid, methyl ester;Methyl 1H-1,2,3-triazole-5-carboxylate;2H-1,2,3-Triazole-4-carboxylic acid, methyl ester (9CI);MFCD12912989;1H-1,2,3-Triazole-5-carboxylic acid methyl ester;1H-1,2,3-Triazole-4-carboxylic acid, methyl ester;SCHEMBL2210189;DTXSID60412928;methyl 1H-triazole-5-carboxylate;FZXQUCUWEZQIHL-UHFFFAOYSA-N;AMY20525;MFCD16878883;AKOS009248416;AKOS028108776;BS-3760;CS-W006657;Methyl2h-1,2,3-Triazole-4-Carboxylate;SY008373;FT-0708166;EN300-51644;O11878;AB01005629-01;A871754;Methyl 1 pound not2 pound not3-Triazole-4-carboxylate;Q27465742;Z803145208

Chemical Property of methyl 1H-1,2,3-triazole-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.00405mmHg at 25°C
• Melting Point: 13.5-13.8 °C
• Boiling Point: 279.3°C at 760 mmHg
• PKA: 6.84±0.70(Predicted)
• Flash Point: 122.7°C
• PSA: 67.87000
• Density: 1.38g/cm³
• LogP: -0.40870
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 127.038176411
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

95% ^*data from raw suppliers

Methyl1H-1,2,3-Triazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NNN=C1

Technology Process of methyl 1H-1,2,3-triazole-4-carboxylate

There total 14 articles about methyl 1H-1,2,3-triazole-4-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

1-benzyl-1H-[1,2,3]triazole-4-carboxylic acid methyl ester (76003-76-4) → methyl 1,2,3-triazole-4-carboxylate (4967-77-5)

Guidance literature:

With 1,1,2-trichloroethane; palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 36h; under 760.051 Torr;

DOI:10.1055/s-0031-1291160

Reference yield: 88.0%

methyl 3-pyrrolidinoacrylate (90087-77-7) + 2-furoyl azide (20762-98-5) → (furan-2-yl)(pyrrolidin-1-yl)methanone (78504-05-9) + methyl 1,2,3-triazole-4-carboxylate (4967-77-5)

Guidance literature:

In chloroform-d1; at 25 ℃;

DOI:10.1039/b203577d

Reference yield: 87.0%

methyl 3-pyrrolidinoacrylate (90087-77-7) + 2-thiophenecarbonyl azide (2046-39-1) → (pyrrolidin-1-yl)(thiophen-2-yl)methanone (69340-21-2) + methyl 1,2,3-triazole-4-carboxylate (4967-77-5)

Guidance literature:

In chloroform-d1; at 25 ℃;

DOI:10.1039/b203577d

upstream raw materials:

propynoic acid methyl ester

methyl 3-pyrrolidinoacrylate

5-methylthiophene-2-carbonyl azide

thieno[3,2-b]thiophene-2-carbonyl azide

Downstream raw materials:

methyl 2-propyl-1H-1,2,3-triazol-4-carboxylate

methyl 2-propyl-1H-1,2,3-triazol-4-carboxylate

methyl 1-propyl-1H-1,2,3-triazol-5-carboxylate

1-Methyl-1,2,3-triazol-4-carbonsaeure-methylester