2,5-Dimethoxy-4-ethylthioamphetamine

Base Information

• Chemical Name: 2,5-Dimethoxy-4-ethylthioamphetamine
• CAS No.: 185562-00-9
• Molecular Formula: C₁₃H₂₁NO₂S
• Molecular Weight: 255.381
• UNII: Z1I419DRZZ
• DSSTox Substance ID: DTXSID401043188
• Nikkaji Number: J2.263.284A
• Wikidata: Q16527585
• Metabolomics Workbench ID: 154680
• ChEMBL ID: CHEMBL339611
• Mol file: 185562-00-9.mol

Synonyms:1-(2,5-dimethoxy-4-ethylthiophenyl)-2-aminopropane;ALEPH-2

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

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 255.12930009
• Heavy Atom Count: 17
• Complexity: 216

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCSC1=C(C=C(C(=C1)OC)CC(C)N)OC

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

There total 6 articles about 2,5-Dimethoxy-4-ethylthioamphetamine 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:

4-ethylsulfanyl-2,5-dimethoxybenzaldehyde (132184-34-0) → (+/-)-1-(2,5-dimethoxy-4-ethylthiophenyl)-2-aminopropane (185562-00-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / NH₄OAc / Heating

2: LiAlH₄ / tetrahydrofuran / 36 h / Heating

With lithium aluminium tetrahydride; ammonium acetate; In tetrahydrofuran;

DOI:10.1021/jm0493109

Reference yield:

2-ethylsulfanyl-1,4-dimethoxybenzene (24920-39-6) → (+/-)-1-(2,5-dimethoxy-4-ethylthiophenyl)-2-aminopropane (185562-00-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: POCl₃ / 40 - 50 °C

1.2: 88 percent / 0.25 h / 70 °C

2.1: 85 percent / NH₄OAc / Heating

3.1: LiAlH₄ / tetrahydrofuran / 36 h / Heating

With lithium aluminium tetrahydride; ammonium acetate; trichlorophosphate; In tetrahydrofuran; 1.1: Vilsmeier reaction;

DOI:10.1021/jm0493109

Reference yield:

1-(2,5-dimethoxy-4-ethylthiophenyl)-2-nitro-1-propene (501445-24-5) → (+/-)-1-(2,5-dimethoxy-4-ethylthiophenyl)-2-aminopropane (185562-00-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 36h; Heating;

DOI:10.1021/jm0493109

upstream raw materials:

1-(2,5-dimethoxy-4-ethylthiophenyl)-2-nitro-1-propene

2-ethylsulfanyl-1,4-dimethoxybenzene

4-ethylsulfanyl-2,5-dimethoxybenzaldehyde

2,5-dimethoxythiophenol

Downstream raw materials:

N-formyl-1-(2,5-dimethoxy-4-ethylthiophenyl)-2-aminopropane