2-Amino-1-ethoxy-3,4-dioxo-1-cyclobutene

Base Information

• Chemical Name: 2-Amino-1-ethoxy-3,4-dioxo-1-cyclobutene
• CAS No.: 29950-12-7
• Molecular Formula: C6H7 N O3
• Molecular Weight: 141.12
• European Community (EC) Number: 858-591-3
• Mol file: 29950-12-7.mol

Synonyms:29950-12-7;3-amino-4-ethoxycyclobut-3-ene-1,2-dione;2-amino-1-ethoxy-3,4-dioxo-1-cyclobutene;3-Cyclobutene-1,2-dione,3-amino-4-ethoxy-(9CI);SCHEMBL709314;RMMBULJTXVBMPL-UHFFFAOYSA-N;AKOS006339914;AT20488;1-amino-2-ethoxy-1-cyclobutene-3,4-dione;3-amino-4-ethoxy-3-cyclobutene 1,2-dione;3-amino-4-ethoxy-3-cyclobutene-1,2-dione;EN300-261560

Chemical Property of 2-Amino-1-ethoxy-3,4-dioxo-1-cyclobutene

Chemical Property:

• PSA: 69.39000
• LogP: 0.04530
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 141.042593085
• Heavy Atom Count: 10
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

3-amino-4-ethoxycyclobut-3-ene-1,2-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C(=O)C1=O)N

Technology Process of 2-Amino-1-ethoxy-3,4-dioxo-1-cyclobutene

There total 2 articles about 2-Amino-1-ethoxy-3,4-dioxo-1-cyclobutene 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: 96.0%

3,4-diethoxy-3-cyclobuten-1,2-dione (5231-87-8) → 2-amino-1-ethoxy-3,4-dioxo-1-cyclobutene (29950-12-7)

Guidance literature:

With ammonia; In ethanol; at 20 ℃;

DOI:10.1039/c3sc50903f

Reference yield:

→ 2-amino-1-ethoxy-3,4-dioxo-1-cyclobutene (29950-12-7)

Guidance literature:

Quadratsaeurediethylester (I), MeNH2, Ae.;

DOI:10.1002/ardp.19703031105

Reference yield:

2-[6-methoxy-1'-(2-phenoxyethyl)-4,9-dihydrospiro[β-carboline-1,3'-pyrrolidin]-2(3H)-yl] ethanamine (853020-22-1) + 2-amino-1-ethoxy-3,4-dioxo-1-cyclobutene (29950-12-7) → 3-amino-4-({2-[6-methoxy-1'-(2-phenoxyethyl)-4,9-dihydrospiro[β-carboline-1,3'-pyrrolidin]-2(3H)-yl]ethyl}amino)cyclobut-3-ene-1,2-dione (853018-56-1)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 16h;

upstream raw materials:

3,4-diethoxy-3-cyclobuten-1,2-dione

Downstream raw materials:

3-amino-4-(3-phenyl)anilino-3-cyclobutene-1,2-dione

3-amino-4-({2-[6-methoxy-1'-(2-phenoxyethyl)-4,9-dihydrospiro[β-carboline-1,3'-pyrrolidin]-2(3H)-yl]ethyl}amino)cyclobut-3-ene-1,2-dione

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