4-(3-NITRO-[1,2,4]TRIAZOL-1-YL)-BUTYRIC ACID

Base Information

• Chemical Name: 4-(3-NITRO-[1,2,4]TRIAZOL-1-YL)-BUTYRIC ACID
• CAS No.: 163527-47-7
• Molecular Formula: C6H8N4O4
• Molecular Weight: 200.15
• Mol file: 163527-47-7.mol

Synonyms:TIMTEC-BB SBB002440;AKOS B030645;4-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)BUTANOIC ACID;4-(3-NITRO-[1,2,4]TRIAZOL-1-YL)-BUTYRIC ACID;1H-1,2,4-triazole-1-butanoic acid, 3-nitro-;4-(3-nitro-1,2,4-triazol-1-yl)butanoic acid

Chemical Property of 4-(3-NITRO-[1,2,4]TRIAZOL-1-YL)-BUTYRIC ACID

Chemical Property:

• Boiling Point: 518.3±52.0 °C(Predicted)
• PKA: 4.54±0.10(Predicted)
• PSA: 113.83000
• Density: 1.65±0.1 g/cm3(Predicted)
• LogP: 0.57430

Purity/Quality:

98%min ^*data from raw suppliers

4-(3-Nitro-[1,2,4]triazol-1-yl)-butyric acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(3-NITRO-[1,2,4]TRIAZOL-1-YL)-BUTYRIC ACID

There total 1 articles about 4-(3-NITRO-[1,2,4]TRIAZOL-1-YL)-BUTYRIC ACID 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: 77.0%

methyl 4-(3-nitro-1H-1,2,4-triazolyl)butanoate (163527-46-6) → 4-(3-nitro-1H-1,2,4-triazolyl)butanoic acid (163527-47-7)

Guidance literature:

With hydrogenchloride; at 20 ℃; for 18h;

DOI:10.1021/jm00011a013

Reference yield: 83.0%

1-(2-aminoethyl)-2-methyl-5-nitro imidazole (55881-33-9) + 4-(3-nitro-1H-1,2,4-triazolyl)butanoic acid (163527-47-7) → N-<2-(2-methyl-5-nitro-1H-imidazolyl)ethyl>-4-(3-nitro-1H-1,2,4-triazolyl)butanamide

Guidance literature:

With diethyl cyanophosphonate; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

DOI:10.1021/jm00011a013

Reference yield: 79.0%

(2-(2-nitro-1H-imidazol-1-yl)ethan-1-amine) (36717-77-8) + 4-(3-nitro-1H-1,2,4-triazolyl)butanoic acid (163527-47-7) → N-<2-(2-nitro-1H-imidazolyl)ethyl>-4-(3-nitro-1H-1,2,4-triazolyl)butanamide

Guidance literature:

With diethyl cyanophosphonate; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

DOI:10.1021/jm00011a013

upstream raw materials:

methyl 4-(3-nitro-1H-1,2,4-triazolyl)butanoate

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