Carbamic acid, 2-propynyl[1-(trifluoromethyl)-3-butenyl]-, phenylmethyl ester

Base Information

Chemical Name:Carbamic acid, 2-propynyl[1-(trifluoromethyl)-3-butenyl]-, phenylmethyl ester
CAS No.:627533-09-9
Molecular Formula:C₁₆H₁₆F₃NO₂
Molecular Weight:311.304
Hs Code.:
DSSTox Substance ID:DTXSID101140191

Synonyms:DTXSID101140191;Carbamic acid, 2-propynyl[1-(trifluoromethyl)-3-butenyl]-, phenylmethyl ester;627533-09-9

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Chemical Property of Carbamic acid, 2-propynyl[1-(trifluoromethyl)-3-butenyl]-, phenylmethyl ester

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:311.11331324
Heavy Atom Count:22
Complexity:419

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C=CCC(C(F)(F)F)N(CC#C)C(=O)OCC1=CC=CC=C1

Technology Process of Carbamic acid, 2-propynyl[1-(trifluoromethyl)-3-butenyl]-, phenylmethyl ester

There total 2 articles about Carbamic acid, 2-propynyl[1-(trifluoromethyl)-3-butenyl]-, phenylmethyl 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: 91.0%

: 106-96-7
propargyl bromide

: 509093-24-7
4-(benzyloxycarbonyl)amino-5,5,5-trifluoropent-1-ene

: 627533-09-9
benzyl N-(2-propynyl)-N-[1-(trifluoromethyl)-3-butenyl]carbamate

Guidance literature:: 4-(benzyloxycarbonyl)amino-5,5,5-trifluoropent-1-ene; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.166667h;

propargyl bromide; In N,N-dimethyl-formamide; at 20 ℃; for 5h;
DOI:10.1021/jo035097x

Reference yield:

: 402728-74-9
N-(diphenylmethylene)-1,1,1-trifluoro-4-penten-2-amine

: 627533-09-9
benzyl N-(2-propynyl)-N-[1-(trifluoromethyl)-3-butenyl]carbamate

Guidance literature:: Multi-step reaction with 3 steps

1.1: 99 percent / aq. HCl / CH₂Cl₂ / 24 h / 50 °C

2.1: 88 percent / NaHCO₃ / H₂O / 12 h / 20 °C

3.1: NaH / dimethylformamide / 0.17 h / 0 °C

3.2: 91 percent / dimethylformamide / 5 h / 20 °C

With hydrogenchloride; sodium hydride; sodium hydrogencarbonate; In dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jo035097x