1-(1-Ethoxy-2-propynyl)-1H-benzotriazole

Base Information

• Chemical Name: 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole
• CAS No.: 171815-58-0
• Molecular Formula: C11H11 N3 O
• Molecular Weight: 201.228
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70395617
• Nikkaji Number: J1.456.816F
• Mol file: 171815-58-0.mol

Synonyms:171815-58-0;1-(1-ETHOXY-2-PROPYNYL)-1H-BENZOTRIAZOLE;1-(1-ethoxyprop-2-ynyl)benzotriazole;1H-Benzotriazole,1-(1-ethoxy-2-propyn-1-yl)-;SCHEMBL2491837;DTXSID70395617;1-(1-Ethoxypropargyl)-1H-benzotriazole;1-(1-Ethoxy-2-propynyl)-1H-benzotriazole, 97%;1-(1-ethoxyprop-2-yn-1-yl)-1H-1,2,3-benzotriazole;1-(1-Ethoxyprop-2-yn-1-yl)-1h-benzo[d][1,2,3]triazole

Chemical Property of 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole

Chemical Property:

• PSA: 39.94000
• LogP: 1.59960
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.090211983
• Heavy Atom Count: 15
• Complexity: 260

Purity/Quality:

96% ^*data from raw suppliers

1-(1-Ethoxy-2-propynyl)-1H-benzotriazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(C#C)N1C2=CC=CC=C2N=N1

Technology Process of 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole

There total 1 articles about 1-(1-Ethoxy-2-propynyl)-1H-benzotriazole 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%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + Propiolaldehyde diethyl acetal (10160-87-9) → 1-(Benzotriazol-2-yl)-3-propargyl ethyl ether + (α-ethoxypropargyl)benzotriazole (171815-58-0)

Guidance literature:

In toluene; for 4h; Yield given; Heating;

DOI:10.1021/jo00128a038

Reference yield: 85.0%

(2-bromovinyl)trimethylsilane (41309-43-7) + (α-ethoxypropargyl)benzotriazole (171815-58-0) → 1-((E)-1-Ethoxy-5-trimethylsilanyl-pent-4-en-2-ynyl)-1H-benzotriazole (197526-52-6)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In toluene; at 50 ℃; for 24h;

DOI:10.1021/jo971234c

Reference yield: 85.0%

4-tolyl iodide (624-31-7) + (α-ethoxypropargyl)benzotriazole (171815-58-0) → 1-(1-Ethoxy-3-p-tolyl-prop-2-ynyl)-1H-benzotriazole

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In toluene; at 50 ℃; for 24h;

DOI:10.1021/jo971234c

upstream raw materials:

1,2,3-Benzotriazole

Propiolaldehyde diethyl acetal

Downstream raw materials:

1-(3-Benzotriazol-1-yl-3-ethoxy-prop-1-ynyl)-cyclohexanol

4-Benzotriazol-1-yl-4-ethoxy-1-phenyl-but-2-yn-1-ol

1-(benzotriazol-1-yl)propargyl ethyl ether

1-((E)-1-Ethoxy-5-trimethylsilanyl-pent-4-en-2-ynyl)-1H-benzotriazole