Phenyl(thiophen-2-yl)methanaminium

Base Information

• Chemical Name: Phenyl(thiophen-2-yl)methanaminium
• CAS No.: 5693-42-5
• Molecular Formula: C11H12NS+
• Molecular Weight: 189.28
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30972367
• Wikidata: Q82956121
• Mol file: 5693-42-5.mol

Synonyms:DTXSID30972367;Phenyl(thiophen-2-yl)methanaminium

Chemical Property of Phenyl(thiophen-2-yl)methanaminium

Chemical Property:

• Vapor Pressure: 0.000485mmHg at 25°C
• Boiling Point: 313.8°Cat760mmHg
• Flash Point: 143.6°C
• PSA: 54.26000
• Density: 1.163g/cm³
• LogP: 3.49650
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 190.06904556
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

1-phenyl-1-(2-thienyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CS2)[NH3+]
• Isomeric SMILES: C1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH3+]

Technology Process of Phenyl(thiophen-2-yl)methanaminium

There total 7 articles about Phenyl(thiophen-2-yl)methanaminium 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: 97.0%

2-bromothiophene (1003-09-4) + benzonitrile (100-47-0) → phenyl(thiophen-2-yl)methanamine (5693-42-5)

Guidance literature:

2-bromothiophene; With isopropylmagnesium chloride; In tetrahydrofuran; at 0 ℃; for 0.5h;

benzonitrile; In tetrahydrofuran; at 100 ℃; for 0.0833333h; Microwave irradiation;

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 0 ℃; for 0.25h;

DOI:10.1016/j.tetlet.2009.04.081

Reference yield: 71.0%

→ phenyl(thiophen-2-yl)methanamine (5693-42-5)

Guidance literature:

Reference yield:

phenyl-thiophen-2-yl-methanol (26059-21-2,105748-50-3,118759-49-2) → phenyl(thiophen-2-yl)methanamine (5693-42-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / TMSN₃ / NaAuCl₄ / CH₂Cl₂ / 16 h / 20 °C

2: LiAlH₄ / tetrahydrofuran / 16 h / Heating

With lithium aluminium tetrahydride; trimethylsilylazide; sodium tetrachloroaurate dihydrate; In tetrahydrofuran; dichloromethane;

DOI:10.1002/adsc.200600236

upstream raw materials:

benzonitrile

phenyl-thiophen-2-yl-methanol

2-bromothiophene

Downstream raw materials:

(phenyl-[2]thienyl-methyl)-urea

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