N-(3-fluoro-4-methoxybenzyl)-aminoacetaldehyde dimethyl acetal

Base Information

Chemical Name:N-(3-fluoro-4-methoxybenzyl)-aminoacetaldehyde dimethyl acetal
CAS No.:118779-16-1
Molecular Formula:C₁₂H₁₈FNO₃
Molecular Weight:243.278
Hs Code.:
DSSTox Substance ID:DTXSID501187381

Synonyms:SCHEMBL9621786;NIWUZOCAPXHQPF-UHFFFAOYSA-N;DTXSID501187381;N-(3-fluoro-4-methoxybenzyl)-aminoacetaldehyde dimethyl acetal;AKOS009064788;118779-16-1;N-(2,2-Dimethoxyethyl)-3-fluoro-4-methoxybenzenemethanamine

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Chemical Property of N-(3-fluoro-4-methoxybenzyl)-aminoacetaldehyde dimethyl acetal

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:243.12707160
Heavy Atom Count:17
Complexity:202

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)CNCC(OC)OC)F

Technology Process of N-(3-fluoro-4-methoxybenzyl)-aminoacetaldehyde dimethyl acetal

There total 2 articles about N-(3-fluoro-4-methoxybenzyl)-aminoacetaldehyde dimethyl acetal 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:

: (2,2-Dimethoxy-ethyl)-[1-(3-fluoro-4-methoxy-phenyl)-meth-(E)-ylidene]-amine

: 118779-16-1
(2,2-Dimethoxy-ethyl)-(3-fluoro-4-methoxy-benzyl)-amine

Guidance literature:: With sodium tetrahydroborate; In ethanol; for 24h; Ambient temperature;
DOI:10.1021/jm00386a008

Reference yield:

: 351-54-2
3-fluoro-p-anisaldehyde

: 118779-16-1
(2,2-Dimethoxy-ethyl)-(3-fluoro-4-methoxy-benzyl)-amine

Guidance literature:: Multi-step reaction with 2 steps

1: 0.33 h / Heating

2: sodium borohydride / ethanol / 24 h / Ambient temperature

With sodium tetrahydroborate; In ethanol;
DOI:10.1021/jm00386a008

Reference yield:

: 118779-16-1
(2,2-Dimethoxy-ethyl)-(3-fluoro-4-methoxy-benzyl)-amine

: 95333-49-6
1-(4'-hydroxy-3'-fluorobenzyl)-1,3-dihydro-2H-imidazole-2-thione

Guidance literature:: Multi-step reaction with 2 steps

1: 12 N HCl / ethanol; H₂O / 2 h / Heating

2: BBr₃ / CH₂Cl₂ / 1.5 h

With hydrogenchloride; boron tribromide; In ethanol; dichloromethane; water;
DOI:10.1021/jm00386a008