4-Morpholinophenylglyoxal hydrate

Base Information

• Chemical Name: 4-Morpholinophenylglyoxal hydrate
• CAS No.: 852633-82-0
• Molecular Formula: C12H15NO4
• Molecular Weight: 237.255
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90586368
• Mol file: 852633-82-0.mol

Synonyms:4-Morpholinophenylglyoxal hydrate;852633-82-0;2-[4-(Morpholin-4-yl)phenyl]-2-oxoacetaldehyde hydrate;1049760-05-5;2-(4-Morpholinophenyl)-2-oxoacetaldehyde hydrate;2-(4-morpholin-4-ylphenyl)-2-oxoacetaldehyde;hydrate;4-MORPHOLINOPHENYLGLYOXALHYDRATE;SCHEMBL5011619;DTXSID90586368;MFCD08272330;AKOS005765952;AB44438;SS-4080;AM20050588;CS-0187045;J-506081;2-[4-(Morpholin-4-yl)phenyl]-2-oxoacetaldehydehydrate;[4-(Morpholin-4-yl)phenyl](oxo)acetaldehyde--water (1/1)

Chemical Property of 4-Morpholinophenylglyoxal hydrate

Chemical Property:

• Vapor Pressure: 2.34E-09mmHg at 25°C
• Boiling Point: 462.7 °C at 760 mmHg
• PKA: 10.60±0.41(Predicted)
• Flash Point: 233.6 °C
• PSA: 55.84000
• Density: 1.320±0.06 g/cm3(Predicted)
• LogP: 0.90550
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 237.10010796
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

98%min ^*data from raw suppliers

4-MorpholinophenylglyoxalHydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=CC=C(C=C2)C(=O)C=O.O

Technology Process of 4-Morpholinophenylglyoxal hydrate

There total 1 articles about 4-Morpholinophenylglyoxal hydrate 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:

4-morpholinoacetophenone (39910-98-0) → C12H15NO4 (852633-82-0)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 100 ℃;

DOI:10.1016/j.tet.2012.10.072

Reference yield:

C12H15NO4 (852633-82-0) + benzylamine (100-46-9) → 4-(4-(2-Phenyloxazol-5-yl)phenyl)morpholine (1415610-07-9)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 100 ℃;

DOI:10.1016/j.tet.2012.10.072

Reference yield:

C12H15NO4 (852633-82-0) + 2-amino-benzenethiol (137-07-5) → C18H18N2O2S

Guidance literature:

With iodine; potassium hydroxide; In water; dimethyl sulfoxide; at 100 ℃;

DOI:10.1021/jo302754c

upstream raw materials:

4-morpholinoacetophenone

Downstream raw materials:

4-(4-(2-Phenyloxazol-5-yl)phenyl)morpholine

Refernces