methyl N-[1-(4-fluorophenyl)but-3-enyl]carbamate

Base Information

Chemical Name:methyl N-[1-(4-fluorophenyl)but-3-enyl]carbamate
CAS No.:913563-72-1
Molecular Formula:C₁₂H₁₄FNO₂
Molecular Weight:223.247
Hs Code.:
DSSTox Substance ID:DTXSID801186518

Synonyms:913563-72-1;DTXSID801186518;Carbamic acid, [1-(4-fluorophenyl)-3-butenyl]-, methyl 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 methyl N-[1-(4-fluorophenyl)but-3-enyl]carbamate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:223.10085685
Heavy Atom Count:16
Complexity:237

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)NC(CC=C)C1=CC=C(C=C1)F

Technology Process of methyl N-[1-(4-fluorophenyl)but-3-enyl]carbamate

There total 1 articles about methyl N-[1-(4-fluorophenyl)but-3-enyl]carbamate 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: 50.0%

: 459-57-4
4-fluorobenzaldehyde

: 598-55-0
methyl carbamate

: 762-72-1
allyl-trimethyl-silane

: 913563-72-1
methyl 1-(4-fluorophenyl)but-3-enylcarbamate

Guidance literature:: With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 3h;
DOI:10.1021/jo060893z

Reference yield: 56.0%

: 913563-72-1
methyl 1-(4-fluorophenyl)but-3-enylcarbamate

: 693826-80-1
toluene-4-sulfonic acid 2-trifluoromethylallyl ester

: 913563-77-6
N-[1-(4-fluorophenyl)but-3-enyl]-N-(2-trifluoromethylallyl)carbamic acid methyl ester

Guidance literature:: methyl 1-(4-fluorophenyl)but-3-enylcarbamate; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

toluene-4-sulfonic acid 2-trifluoromethylallyl ester; In N,N-dimethyl-formamide; at 20 ℃; for 12h;
DOI:10.1021/jo060893z

Reference yield:

: 913563-72-1
methyl 1-(4-fluorophenyl)but-3-enylcarbamate

: 2-(4-fluorophenyl)-5-trifluoromethyl-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaH / dimethylformamide / 0.25 h / 20 °C

1.2: 56 percent / dimethylformamide / 12 h / 20 °C

2.1: 80 percent / (N,N'-Mes₂imidazolidin-2-yl)Ru=CHPh(PCy₃)Cl₂ / toluene / 1 h / 80 °C

With sodium hydride; tri(cycloxexyl)phosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene][benzylidene]ruthenium(IV) dichloride; In N,N-dimethyl-formamide; toluene; 2.1: ring-closing metathesis reaction;
DOI:10.1021/jo060893z