2-(5-Fluoro-2-nitrophenyl)-1,4-butanediol

Base Information

Chemical Name:2-(5-Fluoro-2-nitrophenyl)-1,4-butanediol
CAS No.:101349-33-1
Molecular Formula:C₁₀H₁₂FNO₄
Molecular Weight:229.208
Hs Code.:
DSSTox Substance ID:DTXSID501269365

Synonyms:2-(5-Fluoro-2-nitrophenyl)-1,4-butanediol;DTXSID501269365;101349-33-1

Suppliers and Price of 2-(5-Fluoro-2-nitrophenyl)-1,4-butanediol

Supply Marketing:

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

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Chemical Property of 2-(5-Fluoro-2-nitrophenyl)-1,4-butanediol

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:229.07503603
Heavy Atom Count:16
Complexity:233

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=C(C=C1F)C(CCO)CO)[N+](=O)[O-]

Technology Process of 2-(5-Fluoro-2-nitrophenyl)-1,4-butanediol

There total 2 articles about 2-(5-Fluoro-2-nitrophenyl)-1,4-butanediol 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:

: 92671-36-8
3-(5-fluoro-2-nitrophenyl)oxacyclopentan-2-one

: 101349-33-1
2-(5-fluoro-2-nitrophenyl)butane-1,4-diol

: 582320-41-0
2-hydroxy-3-(5-fluoro-2-nitrophenyl)oxacyclopentane

Guidance literature:: With diisobutylaluminium hydride; In tetrahydrofuran; toluene; at -30 ℃; for 2h;
DOI:10.1021/jo00360a014

Reference yield:

: 350-46-9,178603-76-4
4-Fluoronitrobenzene

: 101349-33-1
2-(5-fluoro-2-nitrophenyl)butane-1,4-diol

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) tris(dimethylamino)sulfonium difluorotrimethylsiliconate (TASF), 2.) Br₂ / 1.) THF, acetonitrile, a) -78 deg C, 30 min, b) -20 deg C, 1 h, 2.) THF, acetonitrile, cyclohexane, -78 deg C, 10 min

2: Dibal-H / tetrahydrofuran; toluene / 2 h / -30 °C

With tris(dimethylamino)sulfonium trimethylsilyldifluoride; bromine; diisobutylaluminium hydride; In tetrahydrofuran; toluene;
DOI:10.1021/jo00360a014