Carbamic acid, [[(1-naphthalenylmethyl)thio]methyl][2,3,5,6-tetrafluoro-4-(1-piperidinyl)phenyl]-, 2-propenyl ester

Base Information

Chemical Name:Carbamic acid, [[(1-naphthalenylmethyl)thio]methyl][2,3,5,6-tetrafluoro-4-(1-piperidinyl)phenyl]-, 2-propenyl ester
CAS No.:233266-70-1
Molecular Formula:C₂₇H₂₆F₄N₂O₂S
Molecular Weight:518.575
Hs Code.:
DSSTox Substance ID:DTXSID701106674

Synonyms:DTXSID701106674;233266-70-1;Carbamic acid, [[(1-naphthalenylmethyl)thio]methyl][2,3,5,6-tetrafluoro-4-(1-piperidinyl)phenyl]-, 2-propenyl ester

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

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Chemical Property of Carbamic acid, [[(1-naphthalenylmethyl)thio]methyl][2,3,5,6-tetrafluoro-4-(1-piperidinyl)phenyl]-, 2-propenyl ester

Chemical Property:

XLogP3:7.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:518.16511190
Heavy Atom Count:36
Complexity:712

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCOC(=O)N(CSCC1=CC=CC2=CC=CC=C21)C3=C(C(=C(C(=C3F)F)N4CCCCC4)F)F

Technology Process of Carbamic acid, [[(1-naphthalenylmethyl)thio]methyl][2,3,5,6-tetrafluoro-4-(1-piperidinyl)phenyl]-, 2-propenyl ester

There total 10 articles about Carbamic acid, [[(1-naphthalenylmethyl)thio]methyl][2,3,5,6-tetrafluoro-4-(1-piperidinyl)phenyl]-, 2-propenyl ester 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: 100.0%

: 110-89-4
piperidine

: 233266-66-5
N-pentafluorophenyl-N-(1-naphthylmethylthio)methyl-carbamic acid allyl ester

: 233266-70-1
N-[2,3,5,6-tetrafluoro-4-(N'-piperidino)phenyl]-N-(1-naphthylmethylthio)methyl-carbamic acid allyl ester

Guidance literature:: In N,N-dimethyl-formamide; at 20 ℃; for 4h;
DOI:10.1016/S0040-4020(99)00323-3

Reference yield: 84.0%

: 5254-86-4
1-mercaptomethylnaphthalene

: methyl ethyl N-[2,3,5,6-tetrafluoro-4-(N'-piperidino)phenyl]-N-allyloxycarbonyl-aminomethyl sulfonium tetrafluoroborate

: 233266-70-1
N-[2,3,5,6-tetrafluoro-4-(N'-piperidino)phenyl]-N-(1-naphthylmethylthio)methyl-carbamic acid allyl ester

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;
DOI:10.1016/S0040-4020(99)00323-3

Reference yield:

: 771-60-8
2,3,4,5,6-pentafluoroaniline

: 233266-70-1
N-[2,3,5,6-tetrafluoro-4-(N'-piperidino)phenyl]-N-(1-naphthylmethylthio)methyl-carbamic acid allyl ester

Guidance literature:: Multi-step reaction with 5 steps

1.1: ethylmagnesium chloride / tetrahydrofuran / 1 h / 20 °C

1.2: 96 percent / tetrahydrofuran / 24 h / 50 °C

2.1: 93 percent / dimethylformamide / 72 h / 20 °C

3.1: sodium hydride / dimethylformamide

3.2: 83 percent / dimethylformamide / 2 h / 20 °C

4.1: 71 percent / CH₂Cl₂ / 8 h / 20 °C

5.1: 84 percent / diisopropylethylamine / CH₂Cl₂ / 20 °C

With ethylmagnesium chloride; sodium hydride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; 1.1: Metallation / 1.2: Acylation / 2.1: Substitution / 3.1: Metallation / 3.2: Alkylation / 4.1: Alkylation / 5.1: Condensation;
DOI:10.1016/S0040-4020(99)00323-3