3-(1H-tetrazol-1-yl)propanoic acid

Base Information

• Chemical Name: 3-(1H-tetrazol-1-yl)propanoic acid
• CAS No.: 92614-86-3
• Molecular Formula: C4H6 N4 O2
• Molecular Weight: 142.12
• Hs Code.: 2933990090
• European Community (EC) Number: 827-229-6
• DSSTox Substance ID: DTXSID00361542
• Wikidata: Q82143898
• Mol file: 92614-86-3.mol

Synonyms:92614-86-3;3-(1H-tetrazol-1-yl)propanoic acid;3-Tetrazol-1-yl-propionic acid;3-(tetrazol-1-yl)propanoic acid;3-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid;1H-Tetrazole-1-propanoic acid;MFCD03724085;3-(1,2,3,4-tetraazolyl)propanoic acid;SCHEMBL2000946;DTXSID00361542;3-(tetrazol-1-yl)-propionic acid;Propionic acid, 3-tetrazol-1-yl-;BBL010609;STK500537;AKOS000264697;VS-02588;BB 0221283;CS-0238240;FT-0705111;EN300-191904;3-(1H-1,2,3,4-tetraazol-1-yl)propanoic acid;3-(1H-Tetrazol-1-yl)propanoic acid, AldrichCPR;Z1198163093

Chemical Property of 3-(1H-tetrazol-1-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 2.36E-06mmHg at 25°C
• Refractive Index: 1.682
• Boiling Point: 377°C at 760 mmHg
• Flash Point: 181.8°C
• PSA: 80.90000
• Density: 1.61g/cm³
• LogP: -0.85220
• XLogP3: -1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 142.04907545
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

98%Min ^*data from raw suppliers

3-(1H-Tetrazol-1-yl)propanoic acid Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NN=NN1CCC(=O)O

Technology Process of 3-(1H-tetrazol-1-yl)propanoic acid

There total 5 articles about 3-(1H-tetrazol-1-yl)propanoic 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: 80.0%

ethyl 5-aminotetrazolepropionate → 3-(1H-tetrazol-1-yl)propanoic acid (92614-86-3)

Guidance literature:

ethyl 5-aminotetrazolepropionate; With potassium hydroxide; at 80 ℃; for 3h; pH=12;

With hydrogenchloride; pH=1; Temperature;

Reference yield: 80.0%

orthoformic acid triethyl ester (122-51-0) + 3-amino propanoic acid (107-95-9) → 3-(1H-tetrazol-1-yl)propanoic acid (92614-86-3)

Guidance literature:

With sodium azide; In acetic acid; at 100 ℃; for 3h;

DOI:10.1007/BF00515224

Reference yield:

1H-tetrazole (288-94-8) + 3-Bromopropionic acid (590-92-1) → 3-(1H-tetrazol-1-yl)propanoic acid (92614-86-3) + 3-(2H-tetrazol-2-yl)propanoic acid (1011407-01-4)

Guidance literature:

1H-tetrazole; 3-Bromopropionic acid; With triethylamine; In acetonitrile; at 20 ℃; for 24h;

With hydrogenchloride; In water; pH=1; Cooling with ice; Inert atmosphere;

DOI:10.1016/j.bmcl.2013.01.080

upstream raw materials:

1H-tetrazole

acrylic acid

orthoformic acid triethyl ester

3-amino propanoic acid

Downstream raw materials:

N-(3-(tetrazol-1-yl)-propionyl)-(L)-valine-benzyl ester