(3-Bromo-4-methoxy-benzylidene)-(4-phenyl-piperazin-1-yl)-amine

Base Information

• Chemical Name: (3-Bromo-4-methoxy-benzylidene)-(4-phenyl-piperazin-1-yl)-amine
• CAS No.: 6070-74-2
• Molecular Formula: C18H20BrN3O
• Molecular Weight: 374.2749
• DSSTox Substance ID: DTXSID30417440
• ChEMBL ID: CHEMBL3208323
• Mol file: 6070-74-2.mol

Synonyms:(3-Bromo-4-methoxy-benzylidene)-(4-phenyl-piperazin-1-yl)-amine;6070-74-2;MLS001212094;CHEMBL3208323;DTXSID30417440;CCG-13778;STK999553;AKOS000554826;SMR000516973;BIM-0024493.P001;N-[(E)-(3-bromo-4-methoxyphenyl)methylidene]-4-phenyl-1-piperazinamine;N-[(E)-(3-bromo-4-methoxyphenyl)methylidene]-4-phenylpiperazin-1-amine

Chemical Property of (3-Bromo-4-methoxy-benzylidene)-(4-phenyl-piperazin-1-yl)-amine

Chemical Property:

• Vapor Pressure: 6.95E-11mmHg at 25°C
• Boiling Point: 519.3°C at 760 mmHg
• Flash Point: 267.8°C
• Density: 1.33g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 373.07897
• Heavy Atom Count: 23
• Complexity: 379

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=C3)Br
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=N/N2CCN(CC2)C3=CC=CC=C3)Br

Technology Process of (3-Bromo-4-methoxy-benzylidene)-(4-phenyl-piperazin-1-yl)-amine

There total 11 articles about (3-Bromo-4-methoxy-benzylidene)-(4-phenyl-piperazin-1-yl)-amine 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: 92.0%

dilithium 3-ethyl-2-oxoglutarate → (2S)-3-ethylglutamic acid (2445-98-9,6070-74-2)

Guidance literature:

With L-leucine; 1,4-dihydronicotinamide adenine dinucleotide; ammonium formate; In water; at 20 ℃; pH=7.6; Enzymatic reaction;

DOI:10.1021/jo070805q

Reference yield: 62.0%

(2S,3S)-1-(benzyloxycarbonyl)-3-ethyl-glutamic acid (531539-33-0) → (2S,3S)-3-ethyl-glutamic acid (2445-98-9,6070-74-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; ethyl acetate; for 6h; under 3000.24 Torr;

DOI:10.1016/S0040-4020(02)01490-4

Reference yield:

→ 3-ethylglutamic acid (2445-98-9,6070-74-2) + (S)-2-Amino-pentanedioic acid 5-ethyl ester (1119-33-1)

Guidance literature:

upstream raw materials:

(2S,3S)-1-(benzyloxycarbonyl)-3-ethyl-glutamic acid

L-Pyroglutamic acid

(2S)-5-oxo-pyrrolidine-2-carboxylic acid 3-methyl-oxetan-3-ylmethyl ester

(2S)-2-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-yl)-5-oxo-2,5-dihydro-pyrrole-1-carboxylic acid benzyl ester