1-ethyl-1,2-dihydro-5H-tetrazol-5-one

Base Information

• Chemical Name: 1-ethyl-1,2-dihydro-5H-tetrazol-5-one
• CAS No.: 69048-98-2
• Molecular Formula: C3H6N4O
• Molecular Weight: 114.107
• Hs Code.: 29339900
• Mol file: 69048-98-2.mol

Synonyms:1H-Tetrazol-5-ol,1-ethyl-(6CI);1-Ethyl-1H-tetrazol-5(4H)-one;1-Ethyl-1,2-dihydro-5H-tetrazol-5-one;

Chemical Property of 1-ethyl-1,2-dihydro-5H-tetrazol-5-one

Chemical Property:

• Vapor Pressure: 15.1mmHg at 25°C
• Melting Point: 80℃
• Refractive Index: 1.676
• Boiling Point: 120.7 °C at 760 mmHg
• PKA: -1.42±0.20(Predicted)
• Flash Point: 26.8 °C
• PSA: 63.57000
• Density: 1.55 g/cm³
• LogP: -1.01370
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly)

Purity/Quality:

98%Min ^*data from raw suppliers

1-Ethyltetrazolinone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Intermediate for the synthesis of Alfentanil

Technology Process of 1-ethyl-1,2-dihydro-5H-tetrazol-5-one

There total 5 articles about 1-ethyl-1,2-dihydro-5H-tetrazol-5-one 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: 65.0%

ethyl isocyanate (109-90-0) → 1-ethyl-1,4-dihydro-5H-tetrazol-5-one (69048-98-2)

Guidance literature:

With aluminium trichloride; sodium azide; In tetrahydrofuran; for 24h; Heating;

DOI:10.1021/jm00161a027

Reference yield: 14.0%

propionyl chloride (79-03-8) → 1-ethyl-1,4-dihydro-5H-tetrazol-5-one (69048-98-2)

Guidance literature:

With trimethylsilylazide; at 100 ℃; Sealed tube;

Reference yield: 14.0%

trimethylsilylazide (4648-54-8) + propionyl chloride (79-03-8) → 1-ethyl-1,4-dihydro-5H-tetrazol-5-one (69048-98-2)

Guidance literature:

at 20 - 100 ℃; Sealed tube;

DOI:10.1039/c6ob01644h

upstream raw materials:

propionyl chloride

ethyl isocyanate

1-ethyl-5-methylsulfanyl-1H-tetrazole

trimethylsilylazide

Downstream raw materials:

N-<1-<2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)-2-phenylethyl>-4-(methoxymethyl)-4-piperidinyl>-N-phenylpropanamide

1-ethyl-4-{2-[4-methoxymethyl-4-(N-propionyl-anilino)-piperidine-1-yl]-1-methyl-ethyl}-1,4-dihydro-tetrazol-5-one

N-<1-<2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)propyl>-4-(methoxymethyl)-4-piperidinyl>-N-phenylpropanamide

1-(2-chloroethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one

Refernces

• 1、 -. "Preparation method of alfentanil and sufentan and compounds used for preparation of sufentanil and alfentan". Paragraph 0238; 0239; 0240. . Retrieved 2017/06/02.
• 2、 Duncton, Matthew A. J.,Singh, Rajinder. "A one-pot synthesis of tetrazolones from acid chlorides: Understanding functional group compatibility, and application to the late-stage functionalization of marketed drugs". supporting information. p. 9338 - 9342. Retrieved 2016/10/13.