4-[(E)-Benzylimino-methyl]-benzoic acid methyl ester

Base Information

Chemical Name:4-[(E)-Benzylimino-methyl]-benzoic acid methyl ester
CAS No.:193821-09-9
Molecular Formula:C16H15NO2
Molecular Weight:253.301
Hs Code.:
DSSTox Substance ID:DTXSID90469945
Nikkaji Number:J1.819.018D

Synonyms:4-[(E)-Benzylimino-methyl]-benzoic acid methyl ester;193821-09-9;SCHEMBL2215429;DTXSID90469945;YDYRFHHQQROWSQ-SFQUDFHCSA-N

Suppliers and Price of 4-[(E)-Benzylimino-methyl]-benzoic acid 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 4-[(E)-Benzylimino-methyl]-benzoic acid methyl ester

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:253.110278721
Heavy Atom Count:19
Complexity:300

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)C=NCC2=CC=CC=C2

Technology Process of 4-[(E)-Benzylimino-methyl]-benzoic acid methyl ester

There total 4 articles about 4-[(E)-Benzylimino-methyl]-benzoic acid 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: 100.0%

: 100-46-9
benzylamine

: 1571-08-0
methyl 4-formylbenzoate

: 193821-09-9
N-benzyl-(4-methoxycarbonylphenyl)methanimine

Guidance literature:: In toluene; for 15.5h; Heating;
DOI:10.1002/(SICI)1521-3765(19980416)4:4<577::AID-CHEM577>3.0.CO;2-T

Reference yield: 63.0%

: 349491-81-2
N-benzyl-terephthalamic acid methyl ester

: 193821-09-9
N-benzyl-(4-methoxycarbonylphenyl)methanimine

Guidance literature:: With chlorobis(cyclooctene)-iridium(I) dimer; H₂SiEt₂; In dichloromethane; at 23 ℃; for 1h; Inert atmosphere;
DOI:10.1021/ja304547s

Reference yield:

: 100-46-9
benzylamine

: 193821-09-9
N-benzyl-(4-methoxycarbonylphenyl)methanimine

Guidance literature:: Multi-step reaction with 2 steps

1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 12 h / 20 °C / Inert atmosphere

2: zirconocene dichloride; sodium bis(2-methoxyethoxy)aluminium dihydride / tetrahydrofuran; dichloromethane; toluene / -20 - 20 °C / Inert atmosphere

With zirconocene dichloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; sodium bis(2-methoxyethoxy)aluminium dihydride; In tetrahydrofuran; dichloromethane; toluene;
DOI:10.1021/ol3000316