2-Methylthio-4,5-dimethoxyamphetamine

Base Information

• Chemical Name: 2-Methylthio-4,5-dimethoxyamphetamine
• CAS No.: 79440-51-0
• Molecular Formula: C₁₂H₁₉NO₂S
• Molecular Weight: 241.354
• UNII: FQL7H4OV45
• DSSTox Substance ID: DTXSID001000471
• Wikipedia: Ortho-DOT
• Wikidata: Q7104396
• ChEMBL ID: CHEMBL31077
• Mol file: 79440-51-0.mol

Synonyms:2-methylthio-4,5-dimethoxyamphetamine;79440-51-0;UNII-FQL7H4OV45;FQL7H4OV45;Benzeneethanamine, 2-methylthio-4,5-dimethoxy-alpha-methyl-;Ortho-DOT;CHEMBL31077;SCHEMBL5300858;DTXSID001000471;AKOS014319970;4,5-DIMETHOXY-2-METHYLTHIOAMPHETAMINE;Q7104396;1-[4,5-Dimethoxy-2-(methylsulfanyl)phenyl]-2-propanamine;Benzeneethanamine,2-methylthio-4,5-dimethoxy-.alpha.-methyl-;1-(4,5-DIMETHOXY-2-(METHYLSULFANYL)PHENYL)PROPAN-2-AMINE;4,5-DIMETHOXY-.ALPHA.-METHYL-2-(METHYLTHIO)BENZENEETHANAMINE;BENZENEETHANAMINE, 4,5-DIMETHOXY-.ALPHA.-METHYL-2-(METHYLTHIO)-

Chemical Property of 2-Methylthio-4,5-dimethoxyamphetamine

Chemical Property:

• Vapor Pressure: 4.2E-05mmHg at 25°C
• Boiling Point: 351.1°C at 760 mmHg
• Flash Point: 166.2°C
• Density: 1.1g/cm³
• XLogP3: 2.3
• 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:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC(=C(C=C1SC)OC)OC)N

Technology Process of 2-Methylthio-4,5-dimethoxyamphetamine

There total 4 articles about 2-Methylthio-4,5-dimethoxyamphetamine 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-(4,5-Dimethoxy-2-methylthiophenyl)-2-nitropropen (63624-32-8) → 2-Methylthio-4,5-dimethoxyamphetamine (79440-51-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jm00220a001

Reference yield:

3,4-dimethoxythiophenol (700-96-9) → 2-Methylthio-4,5-dimethoxyamphetamine (79440-51-0)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) KOH, EtOH, (ii) /BRN= 969135/

2: POCl₃

3: NH₄OAc

4: LiAlH₄ / tetrahydrofuran

With lithium aluminium tetrahydride; ammonium acetate; trichlorophosphate; In tetrahydrofuran;

DOI:10.1021/jm00220a001

Reference yield:

(3,4-dimethoxyphenyl)(methyl)sulfane (2570-43-6) → 2-Methylthio-4,5-dimethoxyamphetamine (79440-51-0)

Guidance literature:

Multi-step reaction with 3 steps

1: POCl₃

2: NH₄OAc

3: LiAlH₄ / tetrahydrofuran

With lithium aluminium tetrahydride; ammonium acetate; trichlorophosphate; In tetrahydrofuran;

DOI:10.1021/jm00220a001

upstream raw materials:

1-(4,5-Dimethoxy-2-methylthiophenyl)-2-nitropropen

3,4-dimethoxythiophenol

(3,4-dimethoxyphenyl)(methyl)sulfane

4,5-dimethoxy-2-(methylthio)benzaldehyde