Ethyl 2-[(E)-benzylideneamino]hepta-5,6-dienoate

Base Information

Chemical Name:Ethyl 2-[(E)-benzylideneamino]hepta-5,6-dienoate
CAS No.:112009-90-2
Molecular Formula:C₁₆H₁₉NO₂
Molecular Weight:257.332
Hs Code.:
DSSTox Substance ID:DTXSID40547707

Synonyms:112009-90-2;Ethyl 2-[(E)-benzylideneamino]hepta-5,6-dienoate;DTXSID40547707

Suppliers and Price of Ethyl 2-[(E)-benzylideneamino]hepta-5,6-dienoate

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
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price

Total 1 raw suppliers

Chemical Property of Ethyl 2-[(E)-benzylideneamino]hepta-5,6-dienoate

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:257.141578849
Heavy Atom Count:19
Complexity:337

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(CCC=C=C)N=CC1=CC=CC=C1

Technology Process of Ethyl 2-[(E)-benzylideneamino]hepta-5,6-dienoate

There total 1 articles about Ethyl 2-[(E)-benzylideneamino]hepta-5,6-dienoate 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:

: 32442-48-1
5-iodo-penta-1,2-diene

: 40682-54-0
ethyl N-benzylideneglycinate

: 112009-90-2
ethyl 2-benzylideneaminohepta-5,6-dienoate

Guidance literature:: With potassium tert-butylate; Multistep reaction; 1) THF, -78 deg C, 10 min, 2) THF, a) up to room temp., 1.5 h, b) room temp., 1.5 h;

Reference yield:

: 112009-90-2
ethyl 2-benzylideneaminohepta-5,6-dienoate

: 111964-07-9
9-(p-tolylsulphonyl)-9-azabicyclo<4.2.1>nonan-2-one

Guidance literature:: Multi-step reaction with 10 steps

1: 59 percent / aq. HCl / diethyl ether / 0.67 h / Ambient temperature

2: CH₂Cl₂

3: 88 percent / AgBF₄ / CH₂Cl₂ / 72 h / Ambient temperature

4: CF₃CO₂H / CH₂Cl₂ / Ambient temperature

5: pyridine / 0 °C

6: 1) B₂H₆, 2) aq. NaOH, 30percent aq. H₂O₂ / 1) THF, 20 deg C, 20 min, 2) 30 min, room temp.

7: 63 percent / tetrahydrofuran / 0.17 h / -10 °C

8: 78 percent / PPh₃, 2 M Br₂ / tetrahydrofuran / a) 0 deg C, 10 min, b) up to room temp.

9: 83 percent / NaH / dimethylsulfoxide / 2 h / 40 °C

10: 92 percent / Al-Hg / tetrahydrofuran; H₂O / 3 h / 60 °C

With pyridine; hydrogenchloride; sodium hydroxide; aluminium amalgam; dihydrogen peroxide; bromine; sodium hydride; triphenylphosphine; trifluoroacetic acid; diborane; silver tetrafluoroborate; In tetrahydrofuran; diethyl ether; dichloromethane; water; dimethyl sulfoxide;

Reference yield:

: 112009-90-2
ethyl 2-benzylideneaminohepta-5,6-dienoate

: 132853-79-3,132853-80-6
(E)- and (Z)-2-methoxymethylene-9-(p-tolylsulphonyl)-9-azabicyclo<4.2.1>nonane

Guidance literature:: Multi-step reaction with 12 steps

1: 59 percent / aq. HCl / diethyl ether / 0.67 h / Ambient temperature

2: CH₂Cl₂

3: 88 percent / AgBF₄ / CH₂Cl₂ / 72 h / Ambient temperature

4: CF₃CO₂H / CH₂Cl₂ / Ambient temperature

5: pyridine / 0 °C

6: 1) B₂H₆, 2) aq. NaOH, 30percent aq. H₂O₂ / 1) THF, 20 deg C, 20 min, 2) 30 min, room temp.

7: 63 percent / tetrahydrofuran / 0.17 h / -10 °C

8: 78 percent / PPh₃, 2 M Br₂ / tetrahydrofuran / a) 0 deg C, 10 min, b) up to room temp.

9: 83 percent / NaH / dimethylsulfoxide / 2 h / 40 °C

10: 92 percent / Al-Hg / tetrahydrofuran; H₂O / 3 h / 60 °C

11: 1) LDA / 1) DME, hexane, -78 deg C, 20 min, 2) DME, 5 min

12: NaH / tetrahydrofuran / 14 h / Ambient temperature

With pyridine; hydrogenchloride; sodium hydroxide; aluminium amalgam; dihydrogen peroxide; bromine; sodium hydride; triphenylphosphine; trifluoroacetic acid; diborane; lithium diisopropyl amide; silver tetrafluoroborate; In tetrahydrofuran; diethyl ether; dichloromethane; water; dimethyl sulfoxide;