5-(1H-pyrrol-2-yl)-1H-tetrazole

Base Information

• Chemical Name: 5-(1H-pyrrol-2-yl)-1H-tetrazole
• CAS No.: 31602-66-1
• Molecular Formula: C5H5N5
• Molecular Weight: 135.128
• Hs Code.: 2933990090
• Mol file: 31602-66-1.mol

Synonyms:5-(1H-Pyrrol-2-yl)-1H-tetrazole;

Chemical Property of 5-(1H-pyrrol-2-yl)-1H-tetrazole

Chemical Property:

• Melting Point: 224-226 °C(Solv: ethyl acetate (141-78-6); ethyl ether (60-29-7))
• Refractive Index: 1.669
• Boiling Point: 430.957 °C at 760 mmHg
• PKA: 4.94±0.10(Predicted)
• Flash Point: 225.636 °C
• PSA: 70.25000
• Density: 1.484 g/cm³
• LogP: 0.19480

Purity/Quality:

98%min ^*data from raw suppliers

5-(1H-Pyrrol-2-yl)-1H-tetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(1H-pyrrol-2-yl)-1H-tetrazole

There total 6 articles about 5-(1H-pyrrol-2-yl)-1H-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: 99.0%

1H-pyrrole-2-carbaldehyde oxime (32597-34-5) → 5-(1H-pyrrol-2-yl)-1H-tetrazole (31602-66-1)

Guidance literature:

With diphenyl phosphoryl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 5,5-dimethyl-1,3-cyclohexadiene; for 4h; Solvent; Reflux; Green chemistry;

DOI:10.1055/s-0036-1591851

Reference yield: 90.0%

2-pyrrole aldehyde (1003-29-8,254729-95-8) → 5-(1H-pyrrol-2-yl)-2H-tetrazole (31602-66-1)

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: 88.0%

1H-pyrrole-2-carbonitrile (4513-94-4) → 5-(1H-pyrrol-2-yl)-1H-tetrazole (31602-66-1)

Guidance literature:

With sodium azide; triethylamine hydrochloride; In toluene; at 100 ℃; for 24h;

DOI:10.1002/ejoc.200400328

upstream raw materials:

1H-pyrrole-2-carbonitrile

1H-pyrrole-2-carbaldehyde oxime

2-pyrrole aldehyde

Refernces

• 1、 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.
• 2、 Dudley, Joshua,Feinn, Liana,Defrancesco, Heather,Lindsay, Erica,Coca, Adiel,Roberts, Elizabeth Lewis. "Antibacterial assessment of heteroaryl, Vinyl, Benzyl, and Alkyl tetrazole compounds". . p. 550 - 555. Retrieved 2018/08/17.