Isopropyl Tetrazole

Base Information

• Chemical Name: Isopropyl Tetrazole
• CAS No.: 6280-28-0
• Molecular Formula: C4H8 N4
• Molecular Weight: 112.13312
• Hs Code.: 2933990090
• Mol file: 6280-28-0.mol

Synonyms:1H-Tetrazole,5-(1-methylethyl)- (9CI); 1H-Tetrazole, 5-isopropyl- (8CI); Tetrazole,5-isopropyl- (6CI); 5-Isopropyltetrazole; NSC 11107

Chemical Property of Isopropyl Tetrazole

Chemical Property:

• Vapor Pressure: 0.0703mmHg at 25°C
• Melting Point: 113-114 °C
• Boiling Point: 229.2°C at 760 mmHg
• PKA: 5.00±0.10(Predicted)
• Flash Point: 102.5°C
• PSA: 43.60000
• Density: 1.15g/cm³
• LogP: 0.25400

Purity/Quality:

98% ^*data from raw suppliers

5-isopropyl-1H-tetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Isopropyl Tetrazole

There total 5 articles about Isopropyl 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: 87.0%

Isobutyronitrile (78-82-0) → 5-isopropyl-2H-tetrazole (6280-28-0)

Guidance literature:

Isobutyronitrile; With α,α,α-trifluorotoluene; tris(2-perfluorohexylethyl)tin azide; at 100 ℃; for 12h;

With hydrogenchloride; In diethyl ether;

DOI:10.1016/S0040-4020(99)00458-5

Reference yield: 85.0%

→ 5-isopropyl-1H-tetrazole (6280-28-0)

Guidance literature:

With sodium azide; NiO#Fe₂O₃; In N,N-dimethyl-formamide; at 100 ℃; for 8h; under 760.051 Torr; Autoclave;

Reference yield: 43.0%

Isobutyronitrile (78-82-0) → 5-isopropyl-1H-tetrazole (6280-28-0)

Guidance literature:

With sodium azide; cerium(III) chloride heptahydrate; In water; isopropyl alcohol; at 160 ℃; for 1h; Microwave irradiation;

DOI:10.2174/1573406413666171120162420

upstream raw materials:

Isobutyronitrile

phenylmagnesium bromide

1-[1-Methyl-1-(1H-tetrazol-5-yl)-ethyl]-1H-benzotriazole

para-methylphenylmagnesium bromide

Downstream raw materials:

(5-Isopropyl-tetrazol-2-yl)-phenyl-methanone oxime

(5-Isopropyl-tetrazol-1-yl)-phenyl-methanone oxime

N'-[1-(5-Isopropyl-tetrazol-2-yl)-2,2-dimethyl-prop-(Z)-ylidene]-phosphorohydrazidic acid diphenyl ester

N'-[1-(5-Isopropyl-tetrazol-1-yl)-2,2-dimethyl-prop-(Z)-ylidene]-phosphorohydrazidic acid diphenyl ester

Refernces

• 1、 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.
• 2、 Schmidt, Boris,Meid, Daniela,Kieser, Daniel. "Safe and fast tetrazole formation in ionic liquids". . p. 492 - 496. Retrieved 2007/10/03.