2-(2-Nitrophenyl)propane-1,3-diol

Base Information

Chemical Name:2-(2-Nitrophenyl)propane-1,3-diol
CAS No.:15121-85-4
Molecular Formula:C9H11NO4
Molecular Weight:197.191
Hs Code.:
DSSTox Substance ID:DTXSID90545374
Wikidata:Q82422844
Mol file:15121-85-4.mol

Synonyms:2-(2-Nitrophenyl)propane-1,3-diol;15121-85-4;SCHEMBL2941917;DTXSID90545374;KZJIJJUXIGOECZ-UHFFFAOYSA-N;2-(2-nitrophenyl)-1,3-propanediol;2-(2-nitrophenyl)-propane-1,3-diol;AKOS006294715

Suppliers and Price of 2-(2-Nitrophenyl)propane-1,3-diol

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
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Total 0 raw suppliers

Chemical Property of 2-(2-Nitrophenyl)propane-1,3-diol

Chemical Property:

Boiling Point:404.3±30.0 °C(Predicted)
PSA：86.28000
Density:1.347±0.06 g/cm3(Predicted)
LogP:1.18620
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:197.06880783
Heavy Atom Count:14
Complexity:188

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(CO)CO)[N+](=O)[O-]

Technology Process of 2-(2-Nitrophenyl)propane-1,3-diol

There total 4 articles about 2-(2-Nitrophenyl)propane-1,3-diol 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: 71.0%

: 26465-37-2
dimethyl 2-(2-nitrophenyl)malonate

: 15121-85-4
1,3-dihydroxy-2-(2-nitrophenyl)propane

Guidance literature:: With dimethylsulfide borane complex; In tetrahydrofuran; Reflux;
DOI:10.1002/hlca.202000172

Reference yield: 61.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 88-72-2
1-methyl-2-nitrobenzene

: 15121-85-4
1,3-dihydroxy-2-(2-nitrophenyl)propane

Guidance literature:: With N-benzyl-trimethylammonium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 8h; Darkness;
DOI:10.1016/j.tetlet.2020.151709

Reference yield: 12.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 88-72-2
1-methyl-2-nitrobenzene

: 15121-84-3
2-nitro-benzeneethanol

: 15121-85-4
1,3-dihydroxy-2-(2-nitrophenyl)propane

Guidance literature:: With tetraethylammonium tosylate; In N,N-dimethyl-formamide; for 3.6h; Product distribution; Mechanism; Ambient temperature; electroreduction; other nitroalkylbenzenes, var. supporting electrolites, solvents, and current conditions;
DOI:10.1021/jo00366a012