5-Hexenoic acid, 2-[(phenylmethylene)amino]-, methyl ester

Base Information

Chemical Name:5-Hexenoic acid, 2-[(phenylmethylene)amino]-, methyl ester
CAS No.:110511-03-0
Molecular Formula:C₁₄H₁₇NO₂
Molecular Weight:231.294
Hs Code.:
DSSTox Substance ID:DTXSID80476340
Mol file:110511-03-0.mol

Synonyms:110511-03-0;5-Hexenoic acid, 2-[(phenylmethylene)amino]-, methyl ester;SCHEMBL7274831;SCHEMBL7276017;DTXSID80476340;MQILIHHNHVIYEF-UHFFFAOYSA-N;2-(3-butenyl)-N-(phenylmethylene)glycine methyl ester;N-(phenylmethylene)-2-(3-butenyl)glycine methy ester;N-(Phenylmethylene)-2-(3-butenyl)glycine methyl ester

Suppliers and Price of 5-Hexenoic acid, 2-[(phenylmethylene)amino]-, methyl ester

Supply Marketing:

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

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Chemical Property of 5-Hexenoic acid, 2-[(phenylmethylene)amino]-, methyl ester

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:231.125928785
Heavy Atom Count:17
Complexity:267

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 5-Hexenoic acid, 2-[(phenylmethylene)amino]-, methyl ester

There total 3 articles about 5-Hexenoic acid, 2-[(phenylmethylene)amino]-, methyl 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:

: 5162-44-7
1-bromo-4-butene

: 66646-88-6
methyl 2-(benzylideneamino)acetate

: 110511-03-0
methyl 2-(benzylideneamino)-5-hexenoate

: 2-But-3-enyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-hex-5-enoic acid methyl ester

Guidance literature:: methyl 2-(benzylideneamino)acetate; With n-butyllithium; diisopropylamine; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane; at -60 ℃; for 1h;

1-bromo-4-butene; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane; at 20 ℃; Further stages.;
DOI:10.1039/b000196l

Reference yield:

: 5162-44-7
1-bromo-4-butene

: 66646-88-6
methyl 2-(benzylideneamino)acetate

: 110511-03-0
methyl 2-(benzylideneamino)-5-hexenoate

Guidance literature:: With lithium diisopropyl amide; In tetrahydrofuran;
DOI:10.1039/c39930000832

Reference yield:

: 100-52-7
benzaldehyde

: 110511-03-0
methyl 2-(benzylideneamino)-5-hexenoate

Guidance literature:: Multi-step reaction with 2 steps

1: MgSO₄, Et₃N / CH₂Cl₂

2: lithium diisopropylamide (LDA) / tetrahydrofuran

With magnesium sulfate; triethylamine; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane;
DOI:10.1039/c39930000832