2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

Base Information

Chemical Name:2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CAS No.:204323-36-4
Molecular Formula:C12H16FNO2
Molecular Weight:225.263
Hs Code.:
European Community (EC) Number:621-540-9
DSSTox Substance ID:DTXSID50472879
Nikkaji Number:J945.044K
Wikidata:Q76422063
Mol file:204323-36-4.mol

Synonyms:204323-36-4;2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide;DTXSID50472879;(1S,2S)-Pseudoephedrine alpha-fluoroacetamide, 98%

Suppliers and Price of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

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
Packaging
price

Total 1 raw suppliers

Chemical Property of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:85-89 °C(lit.)
Boiling Point:385.62°C at 760 mmHg
PKA:13.61±0.20(Predicted)
Flash Point:187.017°C
PSA：40.54000
Density:1.145g/cm³
LogP:1.53640
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:225.11650692
Heavy Atom Count:16
Complexity:229

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22-36/37/38
Safety Statements: 26-36

MSDS Files:

Useful:

Canonical SMILES:CC(C(C1=CC=CC=C1)O)N(C)C(=O)CF
Isomeric SMILES:C[C@@H]([C@H](C1=CC=CC=C1)O)N(C)C(=O)CF

Technology Process of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

There total 1 articles about 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide 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: 84.0%

: 459-72-3
ethyl 2-fluoroacetate

: 90-82-4,7009-81-6,90-83-5,6912-63-6
pseudoephedrine

: 204323-36-4
(1S,2S)-pseudoephedrine α-fluoroacetamide

Guidance literature:: In various solvent(s); for 2h; Heating;
DOI:10.1016/S0040-4039(98)00152-X

Reference yield: 92.0%

: 204323-36-4
(1S,2S)-pseudoephedrine α-fluoroacetamide

: 74-88-4
methyl iodide

: 198779-12-3
(1S(R),2S)-N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methyl-2-fluoropropionamide

Guidance literature:: With n-butyllithium; 1,1,1,3,3,3-hexamethyl-disilazane; lithium chloride; In tetrahydrofuran; hexane; at -50 ℃; for 0.5h;
DOI:10.1016/S0040-4039(98)00152-X

Reference yield: 91.0%

: 1458-98-6
2-methyl-3-bromo-1-propene

: 204323-36-4
(1S,2S)-pseudoephedrine α-fluoroacetamide

: (R)-2-Fluoro-4-methyl-pent-4-enoic acid ((1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amide

: (S)-2-Fluoro-4-methyl-pent-4-enoic acid ((1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amide

Guidance literature:: With n-butyllithium; 1,1,1,3,3,3-hexamethyl-disilazane; lithium chloride; In tetrahydrofuran; hexane; at -40 ℃; for 4h; Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1016/S0040-4039(98)00152-X