3-Azaniumyl-3-thiophen-2-ylpropanoate

Base Information

• Chemical Name: 3-Azaniumyl-3-thiophen-2-ylpropanoate
• CAS No.: 18389-46-3
• Molecular Formula: C7H9 N O2 S
• Molecular Weight: 171.22
• Hs Code.: 2934999090
• Mol file: 18389-46-3.mol

Synonyms:

Chemical Property of 3-Azaniumyl-3-thiophen-2-ylpropanoate

Chemical Property:

• Vapor Pressure: 8.12E-05mmHg at 25°C
• Boiling Point: 327.6°Cat760mmHg
• Flash Point: 151.9°C
• PSA: 91.56000
• Density: 1.345g/cm³
• LogP: 1.92290
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.03539970
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-3-(thiophen-2-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C(CC(=O)[O-])[NH3+]

Technology Process of 3-Azaniumyl-3-thiophen-2-ylpropanoate

There total 4 articles about 3-Azaniumyl-3-thiophen-2-ylpropanoate 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: 72.0%

thiophene-2-carbaldehyde (98-03-3) + malonic acid (141-82-2) → 3-amino-3-(thiophen-2-yl)propanoic acid (18389-46-3,3270-89-1)

Guidance literature:

With ammonium acetate; In ethanol; for 7h; Reflux;

Reference yield: 37.0%

thiophene-2-carbaldehyde (98-03-3) + malonic acid (141-82-2) → 3-amino-3-(thiophen-2-yl)propanoic acid (18389-46-3,3270-89-1) + 3-(2-thienyl)-2-propenoic acid (1124-65-8,15690-25-2,51019-83-1)

Guidance literature:

With ammonium acetate; In ethanol; for 12h; Heating;

DOI:10.1007/s11176-005-0377-9

Reference yield:

thiophene-2-carbaldehyde (98-03-3) + ammonium acetate (631-61-8,92206-38-7) → 3-amino-3-(thiophen-2-yl)propanoic acid (18389-46-3,3270-89-1)

Guidance literature:

With malonic acid; In ethanol;

DOI:10.1211/146080899128734631

upstream raw materials:

thiophene-2-carbaldehyde

malonic acid

ammonium acetate

Downstream raw materials:

3-(2-thienyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid

ethyl (+/-)-3-amino-3-(2-thienyl)propanoate

3-(5-bromo-2-thienyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid