Ethyl 3-(dimethylamino)-2-{2-[(4-methoxyphenyl)methyl]-2H-tetrazol-5-yl}prop-2-enoate

Base Information

• Chemical Name: Ethyl 3-(dimethylamino)-2-{2-[(4-methoxyphenyl)methyl]-2H-tetrazol-5-yl}prop-2-enoate
• CAS No.: 91660-69-4
• Molecular Formula: C₁₆H₂₁N₅O₃
• Molecular Weight: 331.374
• DSSTox Substance ID: DTXSID40698965
• Mol file: 91660-69-4.mol

Synonyms:91660-69-4;DTXSID40698965;AXZWOACHSQCIOG-UHFFFAOYSA-N;ethyl 3-(dimethylamino)-2-[2-(4-methoxybenzyl)-2H-1,2,3,4-tetrazol-5-yl]-2-propenoate;Ethyl 3-(dimethylamino)-2-{2-[(4-methoxyphenyl)methyl]-2H-tetrazol-5-yl}prop-2-enoate

Chemical Property of Ethyl 3-(dimethylamino)-2-{2-[(4-methoxyphenyl)methyl]-2H-tetrazol-5-yl}prop-2-enoate

Chemical Property:

• PSA: 82.37000
• LogP: 1.19560
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 331.16443955
• Heavy Atom Count: 24
• Complexity: 435

Purity/Quality:

99% ^*data from raw suppliers

ETHYL-3-DIMETHYLAMINO-2-[2-(4-METHOXY-BENZYL)-2H-TETRAZOL-5-YL]ACRYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=CN(C)C)C1=NN(N=N1)CC2=CC=C(C=C2)OC

Technology Process of Ethyl 3-(dimethylamino)-2-{2-[(4-methoxyphenyl)methyl]-2H-tetrazol-5-yl}prop-2-enoate

There total 2 articles about Ethyl 3-(dimethylamino)-2-{2-[(4-methoxyphenyl)methyl]-2H-tetrazol-5-yl}prop-2-enoate 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:

ethyl (tetrazol-5-yl)acetate (13616-37-0) + p-methoxybenzyl chloride (824-94-2) + N,N-dimethylformamide diethyl diacetal (1188-33-6) → ethyl 3-(dimethylamino)-2-[2-(4-methoxybenzyl)-2H-1,2,3,4-tetrazol-5-yl]-2-propenoate (91660-69-4) + (E)-3-Dimethylamino-2-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-acrylic acid ethyl ester (91660-68-3)

Guidance literature:

With triethylamine; Yield given. Multistep reaction. Yields of byproduct given; 1) DMF, r.t., 93 h, 2) 100 deg C;

DOI:10.1248/cpb.39.1099

Reference yield:

→ ethyl 3-(dimethylamino)-2-[2-(4-methoxybenzyl)-2H-1,2,3,4-tetrazol-5-yl]-2-propenoate (91660-69-4)

Guidance literature:

Reference yield:

2-amino-4-ethoxycarbonyl-pyridine (13362-30-6) + ethyl 3-(dimethylamino)-2-[2-(4-methoxybenzyl)-2H-1,2,3,4-tetrazol-5-yl]-2-propenoate (91660-69-4) → Ethyl 3-[2-(4-methoxybenzyl)-2 H-1,2,3,4-tetrazol-5-yl]-4-oxo-4H-pyrido[1,2-a]-pyrimidine-8-carboxylate (475058-15-2)

Guidance literature:

With acetic acid;

upstream raw materials:

ethyl (tetrazol-5-yl)acetate

p-methoxybenzyl chloride

N,N-dimethylformamide diethyl diacetal

Downstream raw materials:

Ethyl 3-[2-(4-methoxybenzyl)-2 H-1,2,3,4-tetrazol-5-yl]-4-oxo-4H-pyrido[1,2-a]-pyrimidine-8-carboxylate

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