2,2-Dimethyl-3-(morpholin-4-yl)propanal

Base Information

• Chemical Name: 2,2-Dimethyl-3-(morpholin-4-yl)propanal
• CAS No.: 23588-51-4
• Molecular Formula: C₉H₁₇NO₂
• Molecular Weight: 171.239
• European Community (EC) Number: 700-569-1
• DSSTox Substance ID: DTXSID50389736
• Nikkaji Number: J1.857.806I
• Wikidata: Q82185831
• Mol file: 23588-51-4.mol

Synonyms:23588-51-4;2,2-dimethyl-3-morpholin-4-ylpropanal;2,2-dimethyl-3-(morpholin-4-yl)propanal;2,2-Dimethyl-3-morpholinopropanal;EC 700-569-1;2,2-dimethyl-3-(4-morpholinyl)propanal;2,2-Dimethyl-3-morpholin-4-yl-propionaldehyde;SCHEMBL342075;DTXSID50389736;KVOOZKISXYTWCJ-UHFFFAOYSA-N;2,2-dimethyl-3-morpholino-propanal;MFCD00457348;STK499944;AKOS005171389;FT-0756407;2,2-Dimethyl-3-morpholin-4-ylpropanal, AldrichCPR

Chemical Property of 2,2-Dimethyl-3-(morpholin-4-yl)propanal

Chemical Property:

• Vapor Pressure: 0.0241mmHg at 25°C
• Boiling Point: 199℃ at 98.568kPa
• Density: 0.997 at 20℃
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99.9% ^*data from raw suppliers

2,2-dimethyl-3-morpholin-4-ylpropanal ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CN1CCOCC1)C=O

Technology Process of 2,2-Dimethyl-3-(morpholin-4-yl)propanal

There total 6 articles about 2,2-Dimethyl-3-(morpholin-4-yl)propanal 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:

morpholine (110-91-8,99108-56-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + isobutyraldehyde (78-84-2) → 2,2-dimethyl-3-(N-morpholino)propanal (23588-51-4)

Guidance literature:

With sulfuric acid;

DOI:10.1021/jo01148a011

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + morpholin hydrochloride (10024-89-2) + isobutyraldehyde (78-84-2) → 2,2-dimethyl-3-(N-morpholino)propanal (23588-51-4)

Guidance literature:

With ethanol;

DOI:10.1021/ja01146a053

Reference yield:

3-methyl-1,3-oxazolidine (27970-32-7) + 4-(2-methyl-1-propenyl)morpholine (2403-55-6) → 2,2-dimethyl-3-(N-morpholino)propanal (23588-51-4) + 4,6,6-Trimethyl-7-morpholinohexahydro-1,4-oxazepin (76503-76-9)

Guidance literature:

With trifluoroacetic acid; Yield given. Multistep reaction. Yields of byproduct given; 1) CH₃CN, 30 min, room temperature, 2) 2 h, room temperature;

upstream raw materials:

morpholine

formaldehyd

isobutyraldehyde

morpholin hydrochloride

Downstream raw materials:

2,2-dimethyl-3-morpholino-propan-1-ol

Refernces

• 1、 -. "SECONDARY AMINOSILANES". Paragraph 0238. . Retrieved 2013/11/05.
• 2、 Griengl, Herfried,Prischl, Gerhard,Bleikolm, Anton. "Seven-Membered Rings by 1,5-Cycloadditions, VI. - 7-Aminoperhydro-1,4-oxazepines and -diazepines". . p. 1573 - 1582. Retrieved 2007/10/02.