Methyl 2-amino-4,5-dimethylthiophene-3-carboxylate

Base Information

• Chemical Name: Methyl 2-amino-4,5-dimethylthiophene-3-carboxylate
• CAS No.: 4651-93-8
• Molecular Formula: C8H11 N O2 S
• Molecular Weight: 185.247
• European Community (EC) Number: 672-041-8
• DSSTox Substance ID: DTXSID50356105
• Wikidata: Q82135268
• Mol file: 4651-93-8.mol

Synonyms:methyl 2-amino-4,5-dimethylthiophene-3-carboxylate;4651-93-8;2-Amino-4,5-dimethylthiophene-3-carboxylic acid methyl ester;2-Amino-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester;MFCD00461707;SCHEMBL1063435;DTXSID50356105;BBL007189;STK346607;AKOS000265529;CCG-200208;FS-1354;FT-0678501;EN300-04443;F14790;A827060;AK-968/37166326;methyl2-amino-4,5-dimethylthiophene-3-carboxylate;methyl 2-amino-4,5-dimethyl-thiophene-3-carboxylate;Z56886480;F0917-7527

Chemical Property of Methyl 2-amino-4,5-dimethylthiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.00243mmHg at 25°C
• Melting Point: 123-125 °C
• Refractive Index: 1.577
• Boiling Point: 287.8 °C at 760 mmHg
• PKA: 0.55±0.10(Predicted)
• Flash Point: 127.9 °C
• PSA: 80.56000
• Density: 1.221 g/cm³
• LogP: 2.31490
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 185.05104977
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

Methyl 2-amino-4,5-dimethylthiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-amino-4,5-dimethylthiophene-3-carboxylate

There total 4 articles about Methyl 2-amino-4,5-dimethylthiophene-3-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: 70.9%

methanol (67-56-1) + sodium methylate (124-41-4) + 5,6-dimethylthieno<2,3-d>-1,3-oxazine-2,4(1H,7H)-dione → 2-amino-4,5-dimethylthiophene-3-carboxylic acid methyl ester (4651-93-8)

Guidance literature:

at 0 - 20 ℃; for 16h;

Reference yield: 40.7%

butanone (78-93-3) + methyl 2-cyanoacetate (105-34-0) → 2-amino-4,5-dimethylthiophene-3-carboxylic acid methyl ester (4651-93-8)

Guidance literature:

With morpholine; sulfur; In N,N-dimethyl-formamide; at 50 ℃;

Reference yield: 17.0%

→ 2-amino-4,5-dimethylthiophene-3-carboxylic acid methyl ester (4651-93-8)

Guidance literature:

upstream raw materials:

butanone

methyl 2-cyanoacetate

2-amino-4,5-dimethylthiophene-3-carboxylate

methanol

Downstream raw materials:

3-Allyl-2-mercapto-5,6-dimethyl-thieno<2,3-d>pyrimidin-4(3H)-on

2,3-dimethyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-7-carboxylic acid

C₁₆H₁₆N₂O₃S₂

5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione