4-(Methylthio)benzenebutanamine

Base Information

• Chemical Name: 4-(Methylthio)benzenebutanamine
• CAS No.: 149080-29-5
• Molecular Formula: C₁₁H₁₇NS
• Molecular Weight: 195.329
• DSSTox Substance ID: DTXSID601305019

Synonyms:149080-29-5;4-(Methylthio)benzenebutanamine;SCHEMBL9718107;DTXSID601305019;4-[4-(methylsulfanyl)phenyl]butan-1-amine;EN300-1851268

Chemical Property of 4-(Methylthio)benzenebutanamine

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 195.10817072
• Heavy Atom Count: 13
• Complexity: 119

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)CCCCN

Technology Process of 4-(Methylthio)benzenebutanamine

There total 3 articles about 4-(Methylthio)benzenebutanamine 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-(Methylthio)benzaldehyde (3446-89-7) → 4-(4-Methylsulfanyl-phenyl)-butylamine (149080-29-5)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOMe, MeOH / dioxane / 12 h / Ambient temperature

2: H₂ / 10percent Pd/C / dioxane; ethanol / 3 h / 760 Torr / Ambient temperature

3: MeNH₂ / methanol / 14 h / Ambient temperature

With methanol; hydrogen; sodium methylate; methylamine; palladium on activated charcoal; In 1,4-dioxane; methanol; ethanol;

DOI:10.1021/jm9707840

Reference yield:

2-(4-(4-(methylthio)phenyl)but-3-en-1-yl)isoindoline-1,3-dione → 4-(4-Methylsulfanyl-phenyl)-butylamine (149080-29-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 10percent Pd/C / dioxane; ethanol / 3 h / 760 Torr / Ambient temperature

2: MeNH₂ / methanol / 14 h / Ambient temperature

With hydrogen; methylamine; palladium on activated charcoal; In 1,4-dioxane; methanol; ethanol;

DOI:10.1021/jm9707840

Reference yield:

2-[4-(4-Methylsulfanyl-phenyl)-butyl]-isoindole-1,3-dione (1027647-47-7) → 4-(4-Methylsulfanyl-phenyl)-butylamine (149080-29-5)

Guidance literature:

With methylamine; In methanol; for 14h; Ambient temperature;

DOI:10.1021/jm9707840

upstream raw materials:

2-[4-(4-Methylsulfanyl-phenyl)-butyl]-isoindole-1,3-dione

4-(Methylthio)benzaldehyde

Downstream raw materials:

3-[2-((1S,2R,3S,4R)-3-{4-[4-(4-Methylsulfanyl-phenyl)-butylcarbamoyl]-oxazol-2-yl}-7-oxa-bicyclo[2.2.1]hept-2-ylmethyl)-phenyl]-propionic acid methyl ester

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