2-Amino-5-tert-butylthiophene-3-carboxylic acid

Base Information

• Chemical Name: 2-Amino-5-tert-butylthiophene-3-carboxylic acid
• CAS No.: 890926-59-7
• Molecular Formula: C₉H₁₃NO₂S
• Molecular Weight: 199.274
• DSSTox Substance ID: DTXSID40700072
• Wikidata: Q82631252
• Mol file: 890926-59-7.mol

Synonyms:2-AMINO-5-TERT-BUTYLTHIOPHENE-3-CARBOXYLIC ACID;890926-59-7;5-tert-butyl-2-aminothiophene-3-carboxylic acid;SCHEMBL3552066;DTXSID40700072;JTHCUORWWULIAA-UHFFFAOYSA-N;EN300-146109

Chemical Property of 2-Amino-5-tert-butylthiophene-3-carboxylic acid

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 199.06669983
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(S1)N)C(=O)O

Technology Process of 2-Amino-5-tert-butylthiophene-3-carboxylic acid

There total 1 articles about 2-Amino-5-tert-butylthiophene-3-carboxylic acid 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:

2-amino-5-tert-butylthiophene-3-carboxylic acid methyl ester (216574-71-9) → 2-amino-5-tert-butylthiophene-3-carboxylic acid (890926-59-7)

Guidance literature:

With methanol; potassium hydroxide; water; at 80 ℃; for 5h;

Reference yield:

2-amino-5-tert-butylthiophene-3-carboxylic acid (890926-59-7) + 1,2-dichloro-3-isocyanatobenzene (41195-90-8) → 5-tert-butyl-2-(3-(2,3-dichlorophenyl)ureido)thiophene-3-carboxylic acid (890926-64-4)

Guidance literature:

In tetrahydrofuran; at 70 ℃; for 24h;

DOI:10.1016/j.bmcl.2011.09.078

Reference yield:

2,3-dichloro-1-fluoro-4-isocyanato-benzene (890926-79-1) + 2-amino-5-tert-butylthiophene-3-carboxylic acid (890926-59-7) → 5-tert-butyl-2-(3-(2,3-dichloro-4-fluorophenyl)ureido)thiophene-3-carboxylic acid (1351667-04-3)

Guidance literature:

at 70 ℃; for 48h;

DOI:10.1016/j.bmcl.2011.09.078

upstream raw materials:

2-amino-5-tert-butylthiophene-3-carboxylic acid methyl ester

Downstream raw materials:

5-tert-butyl-2-(3-(2,3-dichloro-4-fluorophenyl)ureido)thiophene-3-carboxylic acid

5-tert-butyl-2-(3-(3-chlorophenyl)ureido)thiophene-3-carboxylic acid

5-tert-butyl-3-(3-(4-chlorophenyl)ureido)thiophene-2-carboxylic acid

1-(5-tert-butyl-3-(1,1-dioxothiomorpholine-4-carbonyl)thiophen-2-yl)-3-(4-chlorophenyl)urea