4-(4-Isocyanophenyl)morpholine

Base Information

• Chemical Name: 4-(4-Isocyanophenyl)morpholine
• CAS No.: 356533-73-8
• Molecular Formula: C11H12N2O
• Molecular Weight: 188.22600
• DSSTox Substance ID: DTXSID60377962
• Nikkaji Number: J357.212I
• Wikidata: Q82167374
• Mol file: 356533-73-8.mol

Synonyms:4-(4-isocyanophenyl)morpholine;356533-73-8;4-Morpholinophenyl isocyanide;N-(4-Isocyanophenyl)morpholine;Morpholine, 4-(4-isocyanophenyl)- (9CI);SCHEMBL2558961;DTXSID60377962;AKOS006292722;4-(4-Isocyanophenyl)morpholine, AldrichCPR;1-ISOCYANO-4-(MORPHOLIN-4-YL)BENZENE;EN300-1856121

Chemical Property of 4-(4-Isocyanophenyl)morpholine

Chemical Property:

• PSA: 12.47000
• LogP: 1.36970
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.094963011
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Isocyanophenyl)morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C-]#[N+]C1=CC=C(C=C1)N2CCOCC2

Technology Process of 4-(4-Isocyanophenyl)morpholine

There total 2 articles about 4-(4-Isocyanophenyl)morpholine 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: 57.0%

(E)-4-morpholinobenzaldehyde oxime → 4-(4-isocyanophenyl)morpholine (356533-73-8)

Guidance literature:

With dipotassium hydrogenphosphate; 4-nitro-1-((trifluoromethyl)sulfonyl)-1H-imidazole; In nitromethane; at 50 ℃; Inert atmosphere; Sealed tube;

DOI:10.1039/d0cc00188k

Reference yield:

N-(4-morpholinophenyl)formamide (869219-33-0) → 4-(4-isocyanophenyl)morpholine (356533-73-8)

Guidance literature:

With trichlorophosphate;

DOI:10.1055/s-0030-1258273

Reference yield: 62.0%

N-phthaloylglycine (4702-13-0) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 4-methoxy-benzylamine (2393-23-9) + 4-(4-isocyanophenyl)morpholine (356533-73-8) → C35H38N4O6 (1273331-21-7)

Guidance literature:

In methanol;

DOI:10.1134/S1070363210120303

upstream raw materials:

N-(4-morpholinophenyl)formamide

Downstream raw materials:

C₃₃H₃₅N₅O₅

C₃₂H₃₃N₅O₅

C₃₀H₃₁N₅O₅

C₃₁H₃₃N₅O₅

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