4-Methylmorpholine-2,6-dione

Base Information

• Chemical Name: 4-Methylmorpholine-2,6-dione
• CAS No.: 13480-36-9
• Molecular Formula: C5H7NO3
• Molecular Weight: 129.115
• European Community (EC) Number: 683-600-0
• DSSTox Substance ID: DTXSID00558874
• Wikidata: Q82441336
• Mol file: 13480-36-9.mol

Synonyms:4-Methylmorpholine-2,6-dione;13480-36-9;MFCD18886023;MIDA anhydride;(N-methylimino)diacetic acid anhydride;2,6-Morpholinedione, 4-methyl-;SCHEMBL3390306;DTXSID00558874;FGQJBZHMORPBRR-UHFFFAOYSA-N;N-methyliminodiacetic acid anhydride;4-Methylmorpholine-2,6-dione, 97%;AKOS013090337;AS-75668;SY293494;CS-0163445;D93073

Chemical Property of 4-Methylmorpholine-2,6-dione

Chemical Property:

• Melting Point: 41-45°C
• Boiling Point: 252.5±33.0 °C(Predicted)
• PKA: 3.35±0.20(Predicted)
• Flash Point: >110℃
• PSA: 46.61000
• Density: 1.271±0.06 g/cm3(Predicted)
• LogP: -1.06050
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 129.042593085
• Heavy Atom Count: 9
• Complexity: 138

Purity/Quality:

99%, ^*data from raw suppliers

4-methylmorpholine-2,6-dione ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1CC(=O)OC(=O)C1

Technology Process of 4-Methylmorpholine-2,6-dione

There total 2 articles about 4-Methylmorpholine-2,6-dione 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: 77.0%

N-methyliminodiacetic acid (4408-64-4) → (N-methylimino)diacetic acid anhydride (13480-36-9)

Guidance literature:

With pyridine; acetic anhydride; at 70 ℃; for 1.5h; Reflux;

Reference yield:

N-methyliminodiacetic acid (4408-64-4) + acetic anhydride (108-24-7) → (N-methylimino)diacetic acid anhydride (13480-36-9)

Guidance literature:

With acetic anhydride; for 4h; Heating;

DOI:10.1016/j.bmc.2005.10.043

Reference yield: 97.0%

Ala-Ala-Asn-PABC-mitomycin + (N-methylimino)diacetic acid anhydride (13480-36-9) → Nα-[((2-amide-2-oxoethoxy)(methyl) amino) acetic acid]-Ala-Ala-Asn-PABC-mitomycin

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃; for 2h;

upstream raw materials:

N-methyliminodiacetic acid

acetic anhydride

Downstream raw materials:

(HOOCCH2)Sar-Aib

C₆₄H₈₀N₄O₂₁

C₆₄H₇₈N₆O₂₁

2-((2-((4-cyanophenyl)amino)-2-oxoethyl)(methyl)amino)acetic acid