2,5-Dimethoxy-4-chloroamphetamine

Base Information

• Chemical Name: 2,5-Dimethoxy-4-chloroamphetamine
• CAS No.: 123431-31-2
• Molecular Formula: C11H16ClNO2
• Molecular Weight: 229.707
• Hs Code.: 2922299090
• European Community (EC) Number: 689-155-9
• UNII: 8Y1C6K0PCA
• DSSTox Substance ID: DTXSID60894189
• Nikkaji Number: J275.082A
• Wikipedia: 2,5-Dimethoxy-4-chloroamphetamine
• Wikidata: Q4029756
• ChEMBL ID: CHEMBL8100
• Mol file: 123431-31-2.mol

Synonyms:2,5-dimethoxy-4-chloroamphetamine;4-chloro-2,5-dimethoxyamphetamine

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Chemical Property of 2,5-Dimethoxy-4-chloroamphetamine

Chemical Property:

• Vapor Pressure: 0.000241mmHg at 25°C
• Refractive Index: 1.525
• Boiling Point: 324.729 °C at 760 mmHg
• PKA: 9.41±0.10(Predicted)
• Flash Point: 150.191 °C
• PSA: 44.48000
• Density: 1.133 g/cm³
• LogP: 2.94720
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 229.0869564
• Heavy Atom Count: 15
• Complexity: 191

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC(=C(C=C1OC)Cl)OC)N

Technology Process of 2,5-Dimethoxy-4-chloroamphetamine

There total 3 articles about 2,5-Dimethoxy-4-chloroamphetamine 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:

2,5-dimethoxyphenylisopropylamine (2801-68-5) → 2,5-Dimethoxy-4-chloroamphetamine (123431-31-2)

Guidance literature:

With hydrogenchloride; chlorine; In acetic acid;

DOI:10.1021/jm00256a016

Reference yield:

N-Acetyl-1-(4-chloro-2,5-dimethoxyphenyl)-2-aminopropan (42203-74-7) → 2,5-Dimethoxy-4-chloroamphetamine (123431-31-2)

Guidance literature:

With sodium hydroxide; In ethylene glycol; Heating;

DOI:10.1139/v73-210

Reference yield:

N-Acetyl-1-(4-amino-2,5-dimethoxyphenyl)-2-aminopropan-hydrochlorid (42203-73-6) → 2,5-Dimethoxy-4-chloroamphetamine (123431-31-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaNO₂, aq. HCl, (ii) CuCl, aq. HCl

2: aq. NaOH / ethane-1,2-diol / Heating

With sodium hydroxide; In ethylene glycol;

DOI:10.1139/v73-210

upstream raw materials:

2,5-dimethoxyphenylisopropylamine

N-Acetyl-1-(4-chloro-2,5-dimethoxyphenyl)-2-aminopropan

N-Acetyl-1-(4-amino-2,5-dimethoxyphenyl)-2-aminopropan-hydrochlorid

Refernces