Methyl 2-{allyl[(benzyloxy)carbonyl]amino}-2-(trifluoromethyl)hex-5-enoate

Base Information

Chemical Name:Methyl 2-{allyl[(benzyloxy)carbonyl]amino}-2-(trifluoromethyl)hex-5-enoate
CAS No.:397844-32-5
Molecular Formula:C19H22F3NO4
Molecular Weight:385.37700
Hs Code.:
DSSTox Substance ID:DTXSID501125610
Nikkaji Number:J1.633.701C

Synonyms:METHYL 2-{ALLYL[(BENZYLOXY)CARBONYL]AMINO}-2-(TRIFLUOROMETHYL)HEX-5-ENOATE;MFCD07779908;397844-32-5;DTXSID501125610;AKOS025211851;methyl 2-(allyl(benzyloxycarbonyl)amino)-2-(trifluoromethyl)hex-5-enoate;2-[Allyl(benzyloxycarbonyl)amino]-2-(trifluoromethyl)-5-hexenoic acid methyl ester;Methyl 2-[[(phenylmethoxy)carbonyl]-2-propen-1-ylamino]-2-(trifluoromethyl)-5-hexenoate;methyl 2-[phenylmethoxycarbonyl(prop-2-enyl)amino]-2-(trifluoromethyl)hex-5-enoate

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Chemical Property of Methyl 2-{allyl[(benzyloxy)carbonyl]amino}-2-(trifluoromethyl)hex-5-enoate

Chemical Property:

PSA：55.84000
LogP:4.25150
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:385.15009267
Heavy Atom Count:27
Complexity:530

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Methyl 2-{allyl[(benzyloxy)carbonyl]amino}-2-(trifluoromethyl)hex-5-enoate

There total 2 articles about Methyl 2-{allyl[(benzyloxy)carbonyl]amino}-2-(trifluoromethyl)hex-5-enoate 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: 67.0%

: 106-95-6
allyl bromide

: 129398-27-2
methyl 2-(benzyloxycarbonylamino)-2-(trifluoromethyl)hex-5-enoate

: 397844-32-5
methyl 2-[(benzyloxycarbonyl)(prop-2-enyl)amino]-2-(trifluoromethyl)hex-5-enoate

Guidance literature:: With sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃; for 8h;
DOI:10.1002/1099-0690(200110)2001:20<3891::AID-EJOC3891>3.0.CO;2-R

Reference yield:

: 128970-26-3
methyl 2-benzyloxycarbonylimino-3,3,3-trifluoropropionate

: 397844-32-5
methyl 2-[(benzyloxycarbonyl)(prop-2-enyl)amino]-2-(trifluoromethyl)hex-5-enoate

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / tetrahydrofuran / -78 - 20 °C

2: 67 percent / NaH / tetrahydrofuran; dimethylformamide / 8 h / 20 °C

With sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1002/1099-0690(200110)2001:20<3891::AID-EJOC3891>3.0.CO;2-R

Reference yield: 95.0%

: 397844-32-5
methyl 2-[(benzyloxycarbonyl)(prop-2-enyl)amino]-2-(trifluoromethyl)hex-5-enoate

: methyl 1-benzyloxycarbonyl-2-trifluoromethyl-1-azacyclohept-5-ene-2-carboxylate

Guidance literature:: With Grubbs catalyst first generation; In dichloromethane; at 20 ℃;
DOI:10.1002/1099-0690(200110)2001:20<3891::AID-EJOC3891>3.0.CO;2-R