Tert-butyl 3-(aminomethyl)thiophene-2-carboxylate

Base Information

• Chemical Name: Tert-butyl 3-(aminomethyl)thiophene-2-carboxylate
• CAS No.: 887594-90-3
• Molecular Formula: C₁₀H₁₅NO₂S
• Molecular Weight: 213.301
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70693645
• Wikidata: Q82622657
• Mol file: 887594-90-3.mol

Synonyms:887594-90-3;tert-butyl 3-(aminomethyl)thiophene-2-carboxylate;2-Thiophenecarboxylicacid, 3-(aminomethyl)-, 1,1-dimethylethyl ester;SCHEMBL4730278;DTXSID70693645;FT-0764923;EN300-4266686

Chemical Property of Tert-butyl 3-(aminomethyl)thiophene-2-carboxylate

Chemical Property:

• PSA: 80.56000
• LogP: 2.86240
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 213.08234989
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

99%min ^*data from raw suppliers

3-Aminomethyl-thiophene-2-carboxylicacidtert-butylester 98 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1=C(C=CS1)CN

Technology Process of Tert-butyl 3-(aminomethyl)thiophene-2-carboxylate

There total 2 articles about Tert-butyl 3-(aminomethyl)thiophene-2-carboxylate 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: 65.0%

tert-butyl 3-azidomethylthiophen-2-carboxylate (1312367-19-3) → tert-butyl 3-aminomethylthiophen-2-carboxylate (887594-90-3)

Guidance literature:

With palladium on activated charcoal; hydrogen; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1021/jm2004078

Reference yield:

tert-butyl 3-bromomethylthiophene-2-carboxylate (252357-59-8) → tert-butyl 3-aminomethylthiophen-2-carboxylate (887594-90-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium azide / N,N-dimethyl-formamide / 2 h / 110 °C

2: palladium on activated charcoal; hydrogen / tetrahydrofuran / 2 h / 20 °C

With sodium azide; palladium on activated charcoal; hydrogen; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/jm2004078

upstream raw materials:

tert-butyl 3-azidomethylthiophen-2-carboxylate

tert-butyl 3-bromomethylthiophene-2-carboxylate

Refernces