Morpholine, 4-(isocyanoacetyl)-

Base Information

• Chemical Name: Morpholine, 4-(isocyanoacetyl)-
• CAS No.: 67434-29-1
• Molecular Formula: C7H10N2O2
• Molecular Weight: 154.169
• DSSTox Substance ID: DTXSID50217782
• Nikkaji Number: J1.933.313B
• Wikidata: Q83094431
• Mol file: 67434-29-1.mol

Synonyms:67434-29-1;Morpholine, 4-(isocyanoacetyl)-;2-isocyano-1-morpholin-4-ylethanone;n-morpholino-2-isocyano-acetamide;2-Isocyano-1-morpholinoethanone;2-isocyano-1-morpholino-ethanone;MFCD06200444;2-isocyano-1-(morpholin-4-yl)ethan-1-one;4-(Isocyanoacetyl)morpholine;SCHEMBL2696781;DTXSID50217782;NFXRGAXRBOBIEQ-UHFFFAOYSA-N;2-isocyano-1-morpholinoethan-1-one;AKOS006294710;BS-42890;SY263041;FT-0759785;P19853

Chemical Property of Morpholine, 4-(isocyanoacetyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 29.54000
• Density: g/cm³
• LogP: -1.06690
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

PN101017:N-Morpholino-2-isocyanoacet-amide 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#[N+]CC(=O)N1CCOCC1

Technology Process of Morpholine, 4-(isocyanoacetyl)-

There total 3 articles about Morpholine, 4-(isocyanoacetyl)- 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: 85.0%

morpholine (110-91-8,99108-56-2) + isocyanoacetic acid methyl ester (39687-95-1) → isocyanoacetylmorpholine (67434-29-1)

Guidance literature:

In methanol; at 20 ℃; for 18h;

DOI:10.1055/s-2006-944224

Reference yield: 58.0%

→ isocyanoacetylmorpholine (67434-29-1)

Guidance literature:

Reference yield:

morpholine (110-91-8,99108-56-2) + Ethyl isocyanoacetate (2999-46-4) → isocyanoacetylmorpholine (67434-29-1)

Guidance literature:

In neat (no solvent); at 25 ℃;

DOI:10.1002/anie.201611024

upstream raw materials:

morpholine

isocyanoacetic acid methyl ester

Ethyl isocyanoacetate

Downstream raw materials:

6-benzyl-7-hexyl-2-morpholin-4-yl-4,5,6,7-tetrahydro-furo[2,3-c]pyridine-3-carboxylic acid ethyl ester