3-Amino-5-phenylthiophene

Base Information

• Chemical Name: 3-Amino-5-phenylthiophene
• CAS No.: 75782-81-9
• Molecular Formula: C10H9NS
• Molecular Weight: 175.254
• DSSTox Substance ID: DTXSID50573678
• Nikkaji Number: J1.786.788A
• Wikidata: Q82462474
• Mol file: 75782-81-9.mol

Synonyms:3-Amino-5-phenylthiophene;75782-81-9;5-phenylthiophen-3-amine;5-phenyl-3-thienylamine;3-Amino-5-phenylthiophen;5-phenyl-thiophen-3-amine;SCHEMBL4489979;DTXSID50573678;GQNDKVSFMBAOLF-UHFFFAOYSA-N;AKOS026733819;AS-83307;E77720

Chemical Property of 3-Amino-5-phenylthiophene

Chemical Property:

• Melting Point: 164 °C
• Boiling Point: 375.9±30.0 °C(Predicted)
• PKA: 4.00±0.10(Predicted)
• PSA: 54.26000
• Density: 1.196±0.06 g/cm3(Predicted)
• LogP: 3.57850
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 175.04557046
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=CS2)N

Technology Process of 3-Amino-5-phenylthiophene

There total 6 articles about 3-Amino-5-phenylthiophene 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: 99.0%

3-amino-5-phenyl-2-thiophenecarboxylic acid (99972-47-1) → 5-phenyl-3-thiopheneamine (75782-81-9)

Guidance literature:

With oxalic acid; In isopropyl alcohol; at 40 ℃;

DOI:10.1055/s-0029-1218780

Reference yield: 95.0%

methyl 3-amino-5-phenylthiophene-2-carboxylate (100063-22-7) → 5-phenyl-3-thiopheneamine (75782-81-9)

Guidance literature:

methyl 3-amino-5-phenylthiophene-2-carboxylate; With sodium hydroxide; water; In ethanol; at 100 ℃; for 0.5h; Microwave vessel;

With hydrogenchloride; In ethanol; water;

Reference yield:

1-methyl-piperazine (109-01-3) + methyl 3-amino-5-phenylthiophene-2-carboxylate (100063-22-7) → 5-phenyl-3-thiopheneamine (75782-81-9)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; In hexane; water; ethyl acetate;

upstream raw materials:

methyl 3-amino-5-phenylthiophene-2-carboxylate

1-methyl-piperazine

3-amino-5-phenyl-2-thiophenecarboxylic acid

3-chloro-3-phenylprop-2-enenitrile

Downstream raw materials:

methyl 2-(5-phenylthiophen-3-ylamino)acetate

methyl 2-(5-phenylthiophen-3-ylamino)propanoate

ethyl-2-cyano-3-[ (5-phenyl-3-thienyl) amino]-2-propenoate

2-chloro-N-(5-phenyl-3-thienyl)acetamide