Methyl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate

Base Information

• Chemical Name: Methyl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate
• CAS No.: 319491-25-3
• Molecular Formula: C₁₂H₁₄N₂O₂S
• Molecular Weight: 250.321
• Hs Code.: 2934999090
• European Community (EC) Number: 800-691-6
• DSSTox Substance ID: DTXSID60355023
• Wikidata: Q82133608
• Mol file: 319491-25-3.mol

Synonyms:methyl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate;319491-25-3;Oprea1_104109;Oprea1_370637;CBDivE_008184;SCHEMBL19769217;DTXSID60355023;MFCD00440677;STK860616;AKOS001145610;BS-37829;CS-0279617;AB00076089-01;SR-01000199891;SR-01000199891-1;Z57067930;methyl 3-amino-4,5,6-trimethylthieno[2,3-b]py-ridine-2-carboxylate;METHYL3-AMINO-4,5,6-TRIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXYLATE

Chemical Property of Methyl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate

Chemical Property:

• Vapor Pressure: 3.56E-07mmHg at 25°C
• Boiling Point: 417.4°C at 760 mmHg
• PKA: 7.37±0.40(Predicted)
• Flash Point: 206.2°C
• PSA: 93.45000
• Density: 1.282g/cm³
• LogP: 3.17150
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 250.07759887
• Heavy Atom Count: 17
• Complexity: 313

Purity/Quality:

98% ^*data from raw suppliers

Methyl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(N=C1C)SC(=C2N)C(=O)OC)C

Technology Process of Methyl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate

There total 1 articles about Methyl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-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: 69.0%

4-(but-2-en-2-yl)morpholine (13809-02-4) + Cyanothioacetamide (7357-70-2) + acetaldehyde (75-07-0,9002-91-9) + methyl chloroacetate (96-34-4) → methyl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate (319491-25-3)

Guidance literature:

Cyanothioacetamide; acetaldehyde; With triethylamine; In ethanol; at 20 ℃; for 0.5h;

4-(but-2-en-2-yl)morpholine; In ethanol; for 26h;

methyl chloroacetate; With potassium hydroxide; In ethanol; water; for 3h;

DOI:10.1134/S107042801511010X

upstream raw materials:

4-(but-2-en-2-yl)morpholine

Cyanothioacetamide

acetaldehyde

methyl chloroacetate

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