5-Methyl-MDA

Base Information

• Chemical Name: 5-Methyl-MDA
• CAS No.: 749191-14-8
• Molecular Formula: C₁₁H₁₅NO₂
• Molecular Weight: 193.246
• UNII: 10R3PP3FVM
• DSSTox Substance ID: DTXSID101024547
• Nikkaji Number: J949.862A
• Wikipedia: 5-Methyl-MDA
• Wikidata: Q4639629
• ChEMBL ID: CHEMBL6330
• Mol file: 749191-14-8.mol

Synonyms:1-(4-methyl-1,3-benzodioxol-6-yl)-2-aminopropane;1-MBD6-2-aminopropanehydrochloride

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Chemical Property of 5-Methyl-MDA

Chemical Property:

• Boiling Point: 295.5±19.0 °C(Predicted)
• PKA: 9.84±0.10(Predicted)
• PSA: 44.48000
• Density: 1.134±0.06 g/cm3(Predicted)
• LogP: 2.31370
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1OCO2)CC(C)N

Technology Process of 5-Methyl-MDA

There total 3 articles about 5-Methyl-MDA 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-methyl-6-(2-nitro-1-propenyl)-1,3-benzodioxole → 1-(4-methyl-1,3-benzodioxol-6-yl)-2-aminopropane (749191-14-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

DOI:10.1021/jm9705925

Reference yield:

3,4-dihydroxy-5-methylbenzaldehyde (82628-68-0) → 1-(4-methyl-1,3-benzodioxol-6-yl)-2-aminopropane (749191-14-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / Cs₂CO₃ / dimethylformamide / 2 h / 110 °C

2: 95 percent / dimethylamine hydrochloride, potassium fluoride / toluene / 24 h / Heating

3: LiAlH₄ / tetrahydrofuran / Heating

With potassium fluoride; lithium aluminium tetrahydride; N,N-dimethylammonium chloride; caesium carbonate; In tetrahydrofuran; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm9705925

Reference yield:

4-methyl-1,3-benzodioxole-6-carbaldehyde (204916-91-6) → 1-(4-methyl-1,3-benzodioxol-6-yl)-2-aminopropane (749191-14-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / dimethylamine hydrochloride, potassium fluoride / toluene / 24 h / Heating

2: LiAlH₄ / tetrahydrofuran / Heating

With potassium fluoride; lithium aluminium tetrahydride; N,N-dimethylammonium chloride; In tetrahydrofuran; toluene;

DOI:10.1021/jm9705925

upstream raw materials:

3,4-dihydroxy-5-methylbenzaldehyde

4-methyl-1,3-benzodioxole-6-carbaldehyde

Refernces