3-Fluoro-4-morpholin-4-ylbenzaldehyde

Base Information

• Chemical Name: 3-Fluoro-4-morpholin-4-ylbenzaldehyde
• CAS No.: 495404-90-5
• Molecular Formula: C11H12FNO2
• Molecular Weight: 209.22
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60424581
• Wikidata: Q72475051
• Mol file: 495404-90-5.mol

Synonyms:495404-90-5;3-fluoro-4-morpholin-4-ylbenzaldehyde;3-fluoro-4-(n-morpholino)-benzaldehyde;3-fluoro-4-morpholinobenzaldehyde;3-fluoro-4-(morpholin-4-yl)benzaldehyde;3-fluoro-4-(4-morpholinyl)benzaldehyde;3-fluoro-4-(n-morpholino)benzaldehyde;3-Fluoro-4-morpholin-4-yl-benzaldehyde;benzaldehyde, 3-fluoro-4-(4-morpholinyl)-;SCHEMBL6223764;DTXSID60424581;RYBHUGMTHMMHKH-UHFFFAOYSA-N;MFCD06656546;STK280668;AKOS000103589;3-fluoranyl-4-morpholin-4-yl-benzaldehyde;CS-0118936;FT-0644751;EN300-66400;C78257;3-FLUORO-4-(4-MORPHOLINYL)-BENZALDEHYDE;A827737;Z274630070

Chemical Property of 3-Fluoro-4-morpholin-4-ylbenzaldehyde

Chemical Property:

• Vapor Pressure: 2.81E-05mmHg at 25°C
• Boiling Point: 357oC at 760 mmHg
• PKA: 1.68±0.40(Predicted)
• Flash Point: 169.7°C
• PSA: 29.54000
• Density: 1.24g/cm³
• LogP: 1.53980
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 209.08520679
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

97% ^*data from raw suppliers

3-fluoro-4-(morpholin-4-yl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=C(C=C(C=C2)C=O)F

Technology Process of 3-Fluoro-4-morpholin-4-ylbenzaldehyde

There total 3 articles about 3-Fluoro-4-morpholin-4-ylbenzaldehyde 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%

3-fluoro-4-(4-morpholino)benzyl alcohol (495404-89-2) → 3-fluoro-4-(4-morpholino)benzaldehyde (495404-90-5)

Guidance literature:

With N-methyl-2-indolinone; tetrapropylammonium perruthennate; In dichloromethane; for 1h;

DOI:10.1021/jm020248u

Reference yield:

methyl 3,4-difluorobenzoate (369-25-5) → 3-fluoro-4-(4-morpholino)benzaldehyde (495404-90-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 81 percent / dimethylsulfoxide / 20 h / 95 °C

2: 100 percent / LiAlH₄ / tetrahydrofuran / 16 h / 20 °C

3: 77 percent / TPAP; NMO; MS 4A / CH₂Cl₂ / 1 h

With lithium aluminium tetrahydride; N-methyl-2-indolinone; tetrapropylammonium perruthennate; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide;

DOI:10.1021/jm020248u

Reference yield:

methyl 3-fluoro-4-(4-morpholino)benzoate (495405-04-4) → 3-fluoro-4-(4-morpholino)benzaldehyde (495404-90-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / LiAlH₄ / tetrahydrofuran / 16 h / 20 °C

2: 77 percent / TPAP; NMO; MS 4A / CH₂Cl₂ / 1 h

With lithium aluminium tetrahydride; N-methyl-2-indolinone; tetrapropylammonium perruthennate; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm020248u

upstream raw materials:

3-fluoro-4-(4-morpholino)benzyl alcohol

methyl 3,4-difluorobenzoate

methyl 3-fluoro-4-(4-morpholino)benzoate

Downstream raw materials:

3-fluoro-4-(4-morpholino)benzaldehydeoxime

C₂₂H₂₂FNO₅

C₂₂H₂₁F₂NO₅

C₂₃H₂₄FNO₅

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