5-AMINO-1-BENZYL-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE

Base Information

• Chemical Name: 5-AMINO-1-BENZYL-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE
• CAS No.: 4342-08-9
• Molecular Formula: C10H11 N5 O
• Molecular Weight: 217.23
• Hs Code.: 2933990090
• Mol file: 4342-08-9.mol

Synonyms:1H-1,2,3-Triazole-4-carboxamide,5-amino-1-benzyl- (6CI,7CI,8CI); 1-Benzyl-5-amino-1,2,3-triazole-4-carboxamide;5-Amino-1-benzyl-4-carboxamido-1,2,3-triazole; NSC 14769; NSC 683622

Chemical Property of 5-AMINO-1-BENZYL-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE

Chemical Property:

• Vapor Pressure: 7.97E-10mmHg at 25°C
• Melting Point: 236°
• Boiling Point: 492°Cat760mmHg
• PKA: 14.35±0.50(Predicted)
• Flash Point: 251.4°C
• PSA: 99.82000
• Density: 1.47g/cm³
• LogP: 1.28900

Purity/Quality:

98%min ^*data from raw suppliers

5-Amino-1-benzyl-1H-1,2,3-triazole-4-carboxamide >95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

Technology Process of 5-AMINO-1-BENZYL-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE

There total 14 articles about 5-AMINO-1-BENZYL-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE 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: 85.0%

benzyl azide (622-79-7) + cyanoacetic acid amide (107-91-5) → 4-amino-3-benzyl-1,2,3-triazole-5-carboxamide (4342-08-9)

Guidance literature:

cyanoacetic acid amide; With potassium hydroxide; In ethanol; for 0.25h;

benzyl azide; In ethanol; for 1h; Heating;

DOI:10.1023/A:1026004720790

Reference yield: 52.0%

C13H11N3 + cyanoacetic acid amide (107-91-5) → 4-amino-3-benzyl-1,2,3-triazole-5-carboxamide (4342-08-9)

Guidance literature:

cyanoacetic acid amide; With sodium hydroxide; In water; at 20 ℃; Green chemistry;

C₁₃H₁₁N₃; In water; at 50 - 60 ℃; for 3h; Green chemistry;

DOI:10.1021/acs.joc.9b01599

Reference yield:

benzyl bromide (100-39-0) → 4-amino-3-benzyl-1,2,3-triazole-5-carboxamide (4342-08-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium azide; water / acetone / 3 h / 25 °C

2: sodium ethanolate / ethanol / 2 h / 90 °C

With sodium azide; water; sodium ethanolate; In ethanol; acetone;

upstream raw materials:

1-benzyl-5-amino-1,2,3-triazole-4-carboxylic acid ethyl ester

3-benzyl-4-methylamino-1,2,3-triazole-5-carboxamide

2-Carbamoyl-N-benzylacetamidine hydrochloride

benzyl azide

Downstream raw materials:

3-benzyl-5-phenyl-3,6-dihydro-1,2,3-triazolo[4,5-d]pyrimidin-7-one

N-(3-Benzyl-7-oxo-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-ylmethyl)-benzamide

9-benzyl-2-methyl-8-azapurin-6-one

3-Benzyl-5-ethoxymethyl-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Refernces

• 1、 Chen, Leyuan,Gou, Wenfeng,Hou, Wenbin,Li, Yiliang,Mu, Ruixu,Wei, Huiqiang,Ye, Caiying,Yu, Jingcheng,Zhou, Yongting,Zhu, Lei. "Discovery of novel triazole compounds as selective IL-1β releasement inhibitors". supporting information. . Retrieved 2021/10/27.
• 2、 -. "NEW TRPA1 ANTAGONISTS". Page/Page column 37; 38. . Retrieved 2017/05/02.