1-Nitro-2-(prop-2-yn-1-yloxy)benzene

Base Information

• Chemical Name: 1-Nitro-2-(prop-2-yn-1-yloxy)benzene
• CAS No.: 13350-09-9
• Molecular Formula: C9H7 N O3
• Molecular Weight: 177.159
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID20508619
• Nikkaji Number: J990.086A
• Wikidata: Q82365707
• Mol file: 13350-09-9.mol

Synonyms:1-Nitro-2-(prop-2-yn-1-yloxy)benzene;13350-09-9;1-nitro-2-prop-2-ynoxybenzene;1-NITRO-2-PROP-2-YNYLOXY-BENZENE;Benzene,1-nitro-2-(2-propyn-1-yloxy)-;2-Nitrophenyl 2-propynyl ether;SCHEMBL11555838;DTXSID20508619;MFCD09030813;AKOS008950668;AKOS015964351;AS-63289;CS-0047187;EN300-139748;W16052;Z51179615

Chemical Property of 1-Nitro-2-(prop-2-yn-1-yloxy)benzene

Chemical Property:

• Melting Point: 74-76 °C
• Boiling Point: 308.7±22.0 °C(Predicted)
• PSA: 55.05000
• Density: 1.247±0.06 g/cm3(Predicted)
• LogP: 2.13000
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 177.042593085
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

1-Nitro-2-(prop-2-yn-1-yloxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CCOC1=CC=CC=C1[N+](=O)[O-]

Technology Process of 1-Nitro-2-(prop-2-yn-1-yloxy)benzene

There total 6 articles about 1-Nitro-2-(prop-2-yn-1-yloxy)benzene 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: 100.0%

propargyl bromide (106-96-7) + 2-hydroxynitrobenzene (88-75-5,78813-12-4) → 1-nitro-2-(prop-2-yn-1-yloxy)benzene (13350-09-9)

Guidance literature:

With potassium carbonate; In tetrahydrofuran;

DOI:10.1016/j.tetlet.2008.04.150

Reference yield: 85.0%

propargyl alcohol (107-19-7) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 1-nitro-2-(prop-2-yn-1-yloxy)benzene (13350-09-9)

Guidance literature:

With 4 A molecular sieve; potassium carbonate; In N,N-dimethyl-formamide; for 15h; Ambient temperature;

DOI:10.1055/s-1998-1762

Reference yield: 48.0%

3-(triisopropylsilyl)propargyl alcohol (104493-07-4) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 1-nitro-2-(prop-2-yn-1-yloxy)benzene (13350-09-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 23h; Ambient temperature;

DOI:10.1055/s-1998-1762

upstream raw materials:

propargyl benzenesulfonate

2-hydroxynitrobenzene

1-phenoxy-2-propyne

propargyl bromide

Downstream raw materials:

C₁₃H₉NO₃S

C₁₅H₁₀FNO₃

C₁₉H₁₃NO₃

1-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-4-(2-nitro-phenoxymethyl)-1H-[1,2,3]triazole