2-Propanol, 1,1-difluoro-1-[4-(2-methoxyethyl)phenoxy]-3-nitro-, (S)-

Base Information

Chemical Name:2-Propanol, 1,1-difluoro-1-[4-(2-methoxyethyl)phenoxy]-3-nitro-, (S)-
CAS No.:192575-81-8
Molecular Formula:C12H15F2NO5
Molecular Weight:291.252
Hs Code.:
DSSTox Substance ID:DTXSID60471853
Wikidata:Q82300532
Mol file:192575-81-8.mol

Synonyms:2-Propanol, 1,1-difluoro-1-[4-(2-methoxyethyl)phenoxy]-3-nitro-, (S)-;192575-81-8;DTXSID60471853

Suppliers and Price of 2-Propanol, 1,1-difluoro-1-[4-(2-methoxyethyl)phenoxy]-3-nitro-, (S)-

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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price

Total 1 raw suppliers

Chemical Property of 2-Propanol, 1,1-difluoro-1-[4-(2-methoxyethyl)phenoxy]-3-nitro-, (S)-

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:291.09182890
Heavy Atom Count:20
Complexity:303

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COCCC1=CC=C(C=C1)OC(C(C[N+](=O)[O-])O)(F)F
Isomeric SMILES:COCCC1=CC=C(C=C1)OC([C@H](C[N+](=O)[O-])O)(F)F

Technology Process of 2-Propanol, 1,1-difluoro-1-[4-(2-methoxyethyl)phenoxy]-3-nitro-, (S)-

There total 5 articles about 2-Propanol, 1,1-difluoro-1-[4-(2-methoxyethyl)phenoxy]-3-nitro-, (S)- 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%

: 75-52-5
nitromethane

: 185758-10-5
Difluoro-[4-(2-methoxy-ethyl)-phenoxy]-acetaldehyde

: 192575-81-8
(S)-1,1-difluoro-1-[4-(2-methoxyethyl)phenyl]oxy-3-nitropropan-2-ol

Guidance literature:: With Sm-Li-(R)-BINOL; In tetrahydrofuran; at -40 ℃; for 168h;
DOI:10.1016/S0960-894X(97)00207-2

Reference yield:

: 75-52-5
nitromethane

: 185758-10-5
Difluoro-[4-(2-methoxy-ethyl)-phenoxy]-acetaldehyde

: (R)-1,1-difluoro-1-[4-(2-methoxyethyl)phenyl]oxy-3-nitropropan-2-ol

: 192575-81-8
(S)-1,1-difluoro-1-[4-(2-methoxyethyl)phenyl]oxy-3-nitropropan-2-ol

Guidance literature:: With Sm-Li-(R)-6,6'-bis((triethylsilyl)ethynyl)-BINOL; In tetrahydrofuran; at -40 ℃; for 96h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1016/S0040-4039(96)02090-4

Reference yield:

: 56718-71-9
4-(2-methoxyethyl)phenol

: 192575-81-8
(S)-1,1-difluoro-1-[4-(2-methoxyethyl)phenyl]oxy-3-nitropropan-2-ol

Guidance literature:: Multi-step reaction with 4 steps

1: Na / dioxane / 6 h / Heating

2: K₂CO₃ / acetone / 12 h / Heating

3: 80 percent / diisobutylalumunium hydride / diethyl ether / 1 h / -78 °C

4: 65 percent / Sm-Li-(R)-BINOL / tetrahydrofuran / 168 h / -40 °C

With Sm-Li-(R)-BINOL; sodium; diisobutylaluminium hydride; potassium carbonate; In tetrahydrofuran; 1,4-dioxane; diethyl ether; acetone;
DOI:10.1016/S0960-894X(97)00207-2