6-Hydroxy-3-nitro-2-(prop-1-yn-1-yl)benzaldehyde

Base Information

Chemical Name:6-Hydroxy-3-nitro-2-(prop-1-yn-1-yl)benzaldehyde
CAS No.:139277-41-1
Molecular Formula:C₁₀H₇NO₄
Molecular Weight:205.17
Hs Code.:
DSSTox Substance ID:DTXSID40569368
Wikidata:Q82456502

Synonyms:139277-41-1;6-Hydroxy-3-nitro-2-(prop-1-yn-1-yl)benzaldehyde;DTXSID40569368

Suppliers and Price of 6-Hydroxy-3-nitro-2-(prop-1-yn-1-yl)benzaldehyde

Supply Marketing:

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

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Chemical Property of 6-Hydroxy-3-nitro-2-(prop-1-yn-1-yl)benzaldehyde

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:205.03750770
Heavy Atom Count:15
Complexity:321

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC#CC1=C(C=CC(=C1C=O)O)[N+](=O)[O-]

Technology Process of 6-Hydroxy-3-nitro-2-(prop-1-yn-1-yl)benzaldehyde

There total 4 articles about 6-Hydroxy-3-nitro-2-(prop-1-yn-1-yl)benzaldehyde 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:

: 50590-07-3
3-iodo-4-nitrophenol

: 139277-41-1
6-Hydroxy-3-nitro-2-prop-1-ynyl-benzaldehyde

Guidance literature:: Multi-step reaction with 4 steps

1: CF₃COOH / 12 h / 80 °C

2: NaH / tetrahydrofuran / 6 h / Ambient temperature

3: PdCl₂(PPh₃)2 / toluene / 2 h / 70 °C

4: aq. HCl / 3 h / Ambient temperature

With hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; sodium hydride; trifluoroacetic acid; In tetrahydrofuran; toluene;
DOI:10.1021/jo00032a005

Reference yield:

: 139277-45-5
6-hydroxy-2-iodo-3-nitrobenzaldehyde

: 139277-41-1
6-Hydroxy-3-nitro-2-prop-1-ynyl-benzaldehyde

Guidance literature:: Multi-step reaction with 3 steps

1: NaH / tetrahydrofuran / 6 h / Ambient temperature

2: PdCl₂(PPh₃)2 / toluene / 2 h / 70 °C

3: aq. HCl / 3 h / Ambient temperature

With hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; sodium hydride; In tetrahydrofuran; toluene;
DOI:10.1021/jo00032a005

Reference yield:

: 139277-46-6
2-Iodo-6-methoxymethoxy-3-nitro-benzaldehyde

: 139277-41-1
6-Hydroxy-3-nitro-2-prop-1-ynyl-benzaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: PdCl₂(PPh₃)2 / toluene / 2 h / 70 °C

2: aq. HCl / 3 h / Ambient temperature

With hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; In toluene;
DOI:10.1021/jo00032a005