5-Propyl-2h-tetrazole

Base Information

• Chemical Name: 5-Propyl-2h-tetrazole
• CAS No.: 14389-13-0
• Molecular Formula: C4H8N4
• Molecular Weight: 112.13
• NSC Number: 11106
• DSSTox Substance ID: DTXSID20279034
• Nikkaji Number: J398.049I
• Wikidata: Q82011308
• Mol file: 14389-13-0.mol

Synonyms:5-propyl-2h-tetrazole;14389-13-0;5-propyl-1H-tetrazole;5-propyl-1H-1,2,3,4-tetrazole;2H-Tetrazole, 5-propyl-;5-propyltetrazole;propyltetrazole;NSC11106;SCHEMBL523444;1,2,4,5-tetra-azolylpropan;DTXSID20279034;MFCD11156013;NSC 11106;NSC-11106;AKOS000261954;BS-41643;CS-0062127;EN300-73534;F19894;Z335295252

Chemical Property of 5-Propyl-2h-tetrazole

Chemical Property:

• Vapor Pressure: 0.0382mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 240.3 °C at 760 mmHg
• Flash Point: 110 °C
• PSA: 54.46000
• Density: 1.158 g/cm³
• LogP: 0.15220
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 112.074896272
• Heavy Atom Count: 8
• Complexity: 65.1

Purity/Quality:

99% ^*data from raw suppliers

5-?Propyl-?1H-?tetraazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NNN=N1
• Uses: 5-?Propyl-?1H-?tetraazole is a potential antifungal agents.

Technology Process of 5-Propyl-2h-tetrazole

There total 7 articles about 5-Propyl-2h-tetrazole 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: 100.0%

propyl cyanide (109-74-0) → 5‐propyl‐1H‐1,2,3,4‐tetrazole (14389-13-0)

Guidance literature:

With sodium azide; triethylamine hydrochloride; In toluene; at 110 ℃; for 16h; Inert atmosphere;

DOI:10.1002/chem.201902917

Reference yield: 58.0%

butyraldehyde (123-72-8) → 5-propyl-1(2)H-tetrazole (14389-13-0)

Guidance literature:

With sodium azide; hydroxylamine hydrochloride; In N,N-dimethyl-formamide; at 140 ℃; for 8h;

DOI:10.1016/j.ica.2020.120089

Reference yield: 47.0%

butyraldehyde oxime (110-69-0) → 5‐propyl‐1H‐1,2,3,4‐tetrazole (14389-13-0)

Guidance literature:

With indium(III) chloride; sodium azide; In N,N-dimethyl-formamide; at 120 ℃; for 28h;

DOI:10.1055/s-0035-1561559

upstream raw materials:

propyl cyanide

butyraldehyde oxime

butyraldehyde

Downstream raw materials:

2‐phenyl‐5‐propyl‐1,3,4‐oxadiazole

2-methyl-5-phenyl-[1,3,4]oxadiazole

2-n-propyl-5-isopropyl-1,3,4-oxadiazole

Refernces

• 1、 Guggilapu, Sravanthi Devi,Prajapti, Santosh Kumar,Nagarsenkar, Atulya,Gupta, Keshav Kumar,Babu, Bathini Nagendra. "Indium(III) Chloride Catalyzed Synthesis of 5-Substituted 1 H -Tetrazoles from Oximes and Sodium Azide". . p. 1241 - 1244. Retrieved 2016.
• 2、 Vinoth, Govindasamy,Indira, Sekar,Bharathi, Madheswaran,Archana, Govindhasamy,Alves, Luis G.,Martins, Ana M.,Shanmuga Bharathi, Kuppannan. "Catalytic conversion of 2,4,5-trisubstituted imidazole and 5-substituted 1H-tetrazole derivatives using a new series of half-sandwich (η6-p-cymene)Ruthenium(II) complexes with thiophene-2-carboxylic acid hydrazone ligands". . . Retrieved 2020/11/16.
• 3、 Wong, Jeff Y. F.,Lewandowska, Agnieszka,Trowse, Benjamin R.,Barker, Graeme. "Lithiation Substitution of Unprotected Benzyltetrazoles". supporting information. p. 7069 - 7072. Retrieved 2019/09/30.