1-(3-Bromobenzyl)-4-(2,3-dimethoxybenzyl)piperazine

Base Information

• Chemical Name: 1-(3-Bromobenzyl)-4-(2,3-dimethoxybenzyl)piperazine
• CAS No.: 5873-12-1
• Molecular Formula: C₁₀H₁₃NO₅S
• Molecular Weight: 259.283
• DSSTox Substance ID: DTXSID50361133
• Wikidata: Q82143290
• ChEMBL ID: CHEMBL1623528

Synonyms:1-(3-bromobenzyl)-4-(2,3-dimethoxybenzyl)piperazine;AK-968/13149973;5873-12-1;Oprea1_736982;Oprea1_865861;CHEMBL1623528;DTXSID50361133;1-[(3-bromophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine;STK145415;AKOS000553512;AB00099945-01

Chemical Property of 1-(3-Bromobenzyl)-4-(2,3-dimethoxybenzyl)piperazine

Chemical Property:

• Vapor Pressure: 4.72E-09mmHg at 25°C
• Boiling Point: 471.3°C at 760 mmHg
• Flash Point: 238.8°C
• Density: 1.31g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 404.10994
• Heavy Atom Count: 25
• Complexity: 390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OC)CN2CCN(CC2)CC3=CC(=CC=C3)Br

Technology Process of 1-(3-Bromobenzyl)-4-(2,3-dimethoxybenzyl)piperazine

There total 12 articles about 1-(3-Bromobenzyl)-4-(2,3-dimethoxybenzyl)piperazine 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: 82.0%

L-serin (56-45-1,83245-15-2) + p-toluenesulfonyl chloride (98-59-9) → N-tosyl-L-serine (7663-92-5,5873-11-0,5873-13-2,5873-12-1)

Guidance literature:

With sodium hydroxide; In water; ethyl acetate; for 3h;

DOI:10.1021/acs.orglett.6b00030

Reference yield: 72.6%

serin (302-84-1,83245-15-2) + p-toluenesulfonyl chloride (98-59-9) → 3-hydroxy-2-{(4-methylphenyl)sulphonamino}propanoic acid (5873-11-0,5873-12-1)

Guidance literature:

serin; With sodium carbonate; In water; at -5 ℃; Green chemistry;

p-toluenesulfonyl chloride; In water; at -5 - 20 ℃; for 5h; Green chemistry;

With hydrogenchloride; In water; at 20 ℃; for 12h; Green chemistry;

DOI:10.26452/ijrps.v11i4.3157

Reference yield: 61.0%

(R)-N-[1'-(2-Furyl)-2'-benzyloxyethyl]toluene-p-sulfonamide (219715-78-3) → (R)-2-(p-Tolylsulfonamido)serine (5873-13-2,5873-12-1) + N-Formyl-(R)-2-(p-tolylsulfonamido)serine

Guidance literature:

With ruthenium(IV) oxide; sodium periodate; water; In tetrachloromethane; acetonitrile; for 1h;

DOI:10.1039/b003067h

upstream raw materials:

serin

p-toluenesulfonyl chloride

3-hydroxy-2-{(4-methylphenyl)sulphonamino}propanoic acid

L-serin

Downstream raw materials:

N-tosyl-L-serine

(R)-2-(p-Tolylsulfonamido)serine

N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide

(S)-4-acetoxymethyl-3-(toluene-4-sulfonyl)-oxazolidin-5-one

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