ethyl (1-benzyl-1H-tetrazol-5-yl)acetate

Base Information

Chemical Name:ethyl (1-benzyl-1H-tetrazol-5-yl)acetate
CAS No.:88669-72-1
Molecular Formula:C12H14N4O2
Molecular Weight:246.269
Hs Code.:
DSSTox Substance ID:DTXSID20568051
Wikidata:Q82454184

Synonyms:88669-72-1;ethyl (1-benzyl-1H-tetrazol-5-yl)acetate;DTXSID20568051

Suppliers and Price of ethyl (1-benzyl-1H-tetrazol-5-yl)acetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of ethyl (1-benzyl-1H-tetrazol-5-yl)acetate

Chemical Property:

XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:246.11167570
Heavy Atom Count:18
Complexity:269

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1=NN=NN1CC2=CC=CC=C2

Technology Process of ethyl (1-benzyl-1H-tetrazol-5-yl)acetate

There total 2 articles about ethyl (1-benzyl-1H-tetrazol-5-yl)acetate 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:

: 13616-37-0
ethyl (tetrazol-5-yl)acetate

: 100-39-0
benzyl bromide

: 88669-77-6
ethyl (2-benzyl-2H-tetrazol-5-yl)acetate

: 88669-72-1
ethyl (1-benzyl-1H-tetrazol-5-yl)acetate

Guidance literature:: With bis(tri-n-butyltin)oxide;
DOI:10.1021/ja00318a042

Reference yield:

: 13616-37-0
ethyl (tetrazol-5-yl)acetate

: 100-44-7
benzyl chloride

: 88669-77-6
ethyl (2-benzyl-2H-tetrazol-5-yl)acetate

: 88669-72-1
ethyl (1-benzyl-1H-tetrazol-5-yl)acetate

Guidance literature:: With triethylamine; In N,N-dimethyl-formamide; for 16h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;
DOI:10.1248/cpb.39.1099

Reference yield:

: 88669-72-1
ethyl (1-benzyl-1H-tetrazol-5-yl)acetate

: 88669-99-2
{2-[(5R,6S)-2-(1-Benzyl-1H-tetrazol-5-yl)-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-en-3-ylsulfanyl]-ethyl}-carbamic acid 4-nitro-benzyl ester

Guidance literature:: Multi-step reaction with 7 steps

1: saponification

2: 1.) dibutylmagnesium; 2.) carbonyl diimidazole / 1.) THF, heptane, 0 deg C; 2.) THF

3: HF / H₂O; acetonitrile

4: Et₃N, p-(C₁₂H₂₅)C₆H₄SO₂N₃ / CH₂Cl₂

5: rhodium (II) acetate dimer / CH₂Cl₂ / Heating

6: 2-Pr₂NEt, CH₃CN

With dirhodium tetraacetate; p-(C₁₂H₂₅)C₆H₄SO₂N₃; hydrogen fluoride; dibutylmagnesium; triethylamine; N-ethyl-N,N-diisopropylamine; 1,1'-carbonyldiimidazole; acetonitrile; In dichloromethane; water; acetonitrile;
DOI:10.1021/ja00318a042