3,3-Dimethylmorpholine

Base Information

• Chemical Name: 3,3-Dimethylmorpholine
• CAS No.: 59229-63-9
• Molecular Formula: C6H13NO
• Molecular Weight: 115.175
• Hs Code.: 2934999090
• European Community (EC) Number: 898-403-7
• DSSTox Substance ID: DTXSID50561616
• Nikkaji Number: J3.462.319H
• Wikidata: Q72470917
• Mol file: 59229-63-9.mol

Synonyms:3,3-dimethylmorpholine;59229-63-9;3,3-Dimethyl-morpholine;MFCD09608072;Morpholine, 3,3-dimethyl-;SCHEMBL323385;DTXSID50561616;HEYGLTRAXBZNAD-UHFFFAOYSA-N;AMY21767;BCP32407;AKOS005174109;AB50978;BS-12881;SY024354;CS-0094495;EN300-51940;A856503;F2148-0109

Chemical Property of 3,3-Dimethylmorpholine

Chemical Property:

• Vapor Pressure: 5.128mmHg at 25°C
• Refractive Index: 1.4472 (589.3 nm 20℃)
• Boiling Point: 143-144℃
• PKA: 9.09±0.40(Predicted)
• Flash Point: 47.308°C
• PSA: 21.26000
• Density: 0.873g/cm³
• LogP: 0.71360
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 80.6

Purity/Quality:

99%, ^*data from raw suppliers

3,3-Dimethylmorpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COCCN1)C

Technology Process of 3,3-Dimethylmorpholine

There total 4 articles about 3,3-Dimethylmorpholine 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: 80.0%

5,5-dimethylmorpholin-3-one (127958-62-7) → 3,3-dimethyl-morpholine (59229-63-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 16h;

DOI:10.1055/s-0034-1379641

Reference yield:

2-Chloro-N-(2-hydroxy-1,1-dimethyl-ethyl)-acetamide (28228-40-2) → 3,3-dimethyl-morpholine (59229-63-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butylate / dichloromethane; isopropyl alcohol / 1 h / 0 - 20 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 16 h / 0 - 20 °C

With lithium aluminium tetrahydride; potassium tert-butylate; In tetrahydrofuran; dichloromethane; isopropyl alcohol;

DOI:10.1055/s-0034-1379641

Reference yield:

2-[(2-hydroxyethyl)amino]-2-methylpropan-1-ol (70787-40-5) → 3,3-dimethyl-morpholine (59229-63-9)

Guidance literature:

With sulfuric acid;

upstream raw materials:

2-[(2-hydroxyethyl)amino]-2-methylpropan-1-ol

5,5-dimethylmorpholin-3-one

2-Chloro-N-(2-hydroxy-1,1-dimethyl-ethyl)-acetamide

Downstream raw materials:

(3,3-dimethyl-morpholin-4-yl)-[5-(3-chloro-phenylethynyl)-pyrimidin-2-yl]-methanone

(3,3-dimethyl-morpholin-4-yl)-[5-(3-fluoro-phenylethynyl)-pyridin-2-yl]-methanone

methyl ((S)-1-((S)-2-(5-(4-(2-((1S,2S)-2-(3,3-dimethylmorpholine-4-carbonyl)cyclopentyl)-1H-imidazol-5-yl)-[1,1‘-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate

3,3-dimethyl-4-({1-[3-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)morpholine

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