4-(2H-tetrazol-5-yl)morpholine

Base Information

• Chemical Name: 4-(2H-tetrazol-5-yl)morpholine
• CAS No.: 133237-33-9
• Molecular Formula: C5H9N5O
• Molecular Weight: 155.159
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80371780
• Nikkaji Number: J1.921.558J
• Wikidata: Q82159225
• Mol file: 133237-33-9.mol

Synonyms:4-(2H-tetrazol-5-yl)morpholine;133237-33-9;5-(MORPHOLINO)TETRAZOLE;5-(Morpholin-4-yl)-2H-tetrazole;Morpholine, 4-(2H-tetrazol-5-yl)-;4-(2H-1,2,3,4-tetrazol-5-yl)morpholine;5-Morpholino-1H-tetrazole;5-morpholino-2h -tetrazole;SCHEMBL3996434;DTXSID80371780;4-(1H-tetrazol-5-yl)morpholine;MFCD00052625;STL302068;AKOS006228487;AKOS015958545;PS-6196;4-(1H-1,2,3,4-tetrazol-5-yl)morpholine

Chemical Property of 4-(2H-tetrazol-5-yl)morpholine

Chemical Property:

• PSA: 66.93000
• LogP: -0.89870
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 155.08070993
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

98% ^*data from raw suppliers

5-(MORPHOLIN-4-YL)-2H-TETRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=NNN=N2

Technology Process of 4-(2H-tetrazol-5-yl)morpholine

There total 5 articles about 4-(2H-tetrazol-5-yl)morpholine 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: 97.0%

4-(2-propenyl-2H-tetrazol-5-yl)-morpholine + 2-phenylethanol (60-12-8) → formic acid phenethyl ester (104-62-1) + 5-(4-morpholinyl)-2H-tetrazole (133237-33-9)

Guidance literature:

4-(2-propenyl-2H-tetrazol-5-yl)-morpholine; 2-phenylethanol; With ozone; In dichloromethane; at -78 ℃;

With dimethylsulfide; In dichloromethane; at -78 - 20 ℃;

DOI:10.1021/jo050836q

Reference yield: 80.0%

benzotriazol-1-yl(tetrahydro-1H-1,4-oxazin-4-yl)methanimine (314278-55-2) → 5-(4-morpholinyl)-1H-1,2,3,4-tetrazole (133237-33-9)

Guidance literature:

With sodium azide; acetic acid; In chloroform; at 20 ℃; for 18h;

DOI:10.1021/jo0266543

Reference yield: 80.0%

2-allyl-5-(morpholino)tetrazole (477862-42-3) → 5-(4-morpholinyl)-2H-tetrazole (133237-33-9)

Guidance literature:

With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; tert-butylmagnesium chloride; In tetrahydrofuran; toluene; at 20 ℃; for 0.0833333h;

DOI:10.1021/jo050836q

upstream raw materials:

N-cyanomorpholine

benzotriazol-1-yl(tetrahydro-1H-1,4-oxazin-4-yl)methanimine

morpholine

cyanogen azide

Downstream raw materials:

N-{4-Methoxymethyl-1-[2-(5-morpholin-4-yl-tetrazol-2-yl)-ethyl]-piperidin-4-yl}-N-phenyl-propionamide