2,5-Dimethoxy-4-methylthioamphetamine

Base Information

• Chemical Name: 2,5-Dimethoxy-4-methylthioamphetamine
• CAS No.: 61638-07-1
• Molecular Formula: C12H19NO2S
• Molecular Weight: 241.354
• UNII: C9ZVF4O01N
• DSSTox Substance ID: DTXSID80874362
• Nikkaji Number: J273.478H
• Wikipedia: Aleph_(psychedelic)
• Wikidata: Q4716172
• ChEMBL ID: CHEMBL447830
• Mol file: 61638-07-1.mol

Synonyms:2,5-Dimethoxy-4-methylthioamphetamine;69519-59-1;61638-07-1;2-(2,5-DIMETHOXY-4-METHYLSULFANYLPHENYL)-1-METHYL-ETHYLAMINE;UNII-C9ZVF4O01N;C9ZVF4O01N;CHEMBL447830;4-Methylthio-2-5-dimethoxyamphetamine;1-(2,5-dimethoxy-4-methylsulfanylphenyl)propan-2-amine;Benzeneethanamine, 2,5-dimethoxy-4-methylthio-alpha-methyl-;1-[2,5-dimethoxy-4-(methylsulfanyl)phenyl]propan-2-amine;Benzeneethanamine,2,5-dimethoxy-4-methylthio-.alpha.-methyl-;Benzeneethanamine, 2,5-dimethoxy-alpha-methyl-4-(methylthio)-, (+-)-;Aleph (psychedelic);ALEPH;SCHEMBL715166;DTXSID80874362;BDBM50164329;4-methylthio-2,5-dimethoxyamphetamine;AKOS015963612;J273.478H;FT-0710295;Q4716172;1-(2,5-Dimethoxy-4-(methylthio)phenyl)propan-2-amine;5-(4-CHLOROPHENYL)FURAN-2-CARBOXYLICACIDMETHYLESTER;1-[2,5-Dimethoxy-4-(methylsulfanyl)phenyl]-2-propanamine #;2-(2,5-Dimethoxy-4-methylsulfanyl-phenyl)-1-methyl-ethylamine;2-(2,5-dimethoxy-4-methylsulfanylphenyl)-1-methylethylamine;2,5-DIMETHOXY-.ALPHA.-METHYL-4-(METHYLTHIO)BENZENEETHANAMINE;BENZENEETHANAMINE, 2,5-DIMETHOXY-.ALPHA.-METHYL-4-(METHYLTHIO)-;Benzeneethanamine,2,5-dimethoxy-.alpha.-methyl-4-(methylthio)-(.+/-.)-

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

Chemical Property:

• Vapor Pressure: 2.9E-05mmHg at 25°C
• Melting Point: 91-93 °C(Solv: hexane (110-54-3))
• Boiling Point: 356.6°Cat760mmHg
• PKA: 9.54±0.10(Predicted)
• Flash Point: 169.4°C
• PSA: 69.78000
• Density: 1.1g/cm³
• LogP: 3.01570
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 241.11365002
• Heavy Atom Count: 16
• Complexity: 204

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

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

1-(2,5-dimethoxy-4-methylthiophenyl)-2-nitro-1-propene (61638-05-9) → 2,5-dimethoxy-4-(methylthio)amphetamine (61638-07-1,69519-59-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1002/jps.2600651040

Reference yield:

2-(methylthio)-1,4-dimethoxybenzene (2570-42-5) → 2,5-dimethoxy-4-(methylthio)amphetamine (61638-07-1,69519-59-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: POCl₃ / 40 - 50 °C

1.2: 73 percent / 0.25 h / 70 °C

2.1: 73 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:

2,5-dimethoxy-4-methylsulfidebenzaldehyde (61638-04-8) → 2,5-dimethoxy-4-(methylthio)amphetamine (61638-07-1,69519-59-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / NH₄OAc / Heating

2: LiAlH₄ / tetrahydrofuran / 36 h / Heating

With lithium aluminium tetrahydride; ammonium acetate; In tetrahydrofuran;

DOI:10.1021/jm0493109

upstream raw materials:

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

2,5-dimethoxythiophenol

2-(methylthio)-1,4-dimethoxybenzene

2,5-dimethoxy-4-methylsulfidebenzaldehyde

Downstream raw materials:

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