4-Morpholinobutan-1-ol

Base Information

• Chemical Name: 4-Morpholinobutan-1-ol
• CAS No.: 5835-79-0
• Molecular Formula: C8H17NO2
• Molecular Weight: 159.228
• Hs Code.: 2934999090
• European Community (EC) Number: 694-360-1
• DSSTox Substance ID: DTXSID70586381
• Nikkaji Number: J3.410.312G
• Wikidata: Q82478494
• Mol file: 5835-79-0.mol

Synonyms:4-Morpholinobutan-1-ol;5835-79-0;4-(4-morpholinyl)-1-butanol;4-Morpholin-4-ylbutan-1-ol;4-Morpholino-1-butanol;4-MORPHOLIN-4-YL-BUTAN-1-OL;4-(morpholin-4-yl)butan-1-ol;MFCD03211280;SCHEMBL11087;DTXSID70586381;URFFPMJFOHTCLI-UHFFFAOYSA-N;AC1975;AKOS000319729;CS-W006325;MCULE-9169300887;DA-18500;DS-17610;SY162777;EN300-189976

Chemical Property of 4-Morpholinobutan-1-ol

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: 255.368oC at 760 mmHg
• Flash Point: 108.243oC
• PSA: 32.70000
• Density: 1.016g/cm3
• LogP: 0.02900
• Storage Temp.: 2-8°C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 92.1

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Morpholinyl)-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CCCCO

Technology Process of 4-Morpholinobutan-1-ol

There total 10 articles about 4-Morpholinobutan-1-ol 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: 65.0%

3-morpholin-4-ylpropionic acid ethyl ester (88217-57-6) → 4-(1-hydroxypropyl)morpholine (5835-79-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

Reference yield: 35.0%

morpholine (110-91-8,99108-56-2) + 4-Chloro-1-butanol (928-51-8) → 4-(1-hydroxypropyl)morpholine (5835-79-0)

Guidance literature:

morpholine; 4-Chloro-1-butanol; With sodium iodide; In 1,4-dioxane; for 48h; Heating / reflux;

With sodium hydroxide; In water;

Reference yield:

3-morpholinopropyl 2-(3-(trifluoromethyl)phenylamino)pyridine-3-carboxylate (929257-58-9) → 4-(1-hydroxypropyl)morpholine (5835-79-0) + Niflumic Acid (4394-00-7)

Guidance literature:

In phosphate buffer; at 37 ℃; for 48h; pH=7.4; Further Variations:; Solvents; reaction times; Kinetics;

upstream raw materials:

morpholine

Butane-1,4-diol

4-Chloro-1-butanol

4-Bromobutyl acetate

Downstream raw materials:

3,4,5-trimethoxy-benzoic acid 4-morpholin-4-yl-butyl ester

3,4,5-trimethoxy-trans-cinnamic acid-(4-morpholino-butyl ester)

4-(4-chlorobutyl)morpholine hydrochloride

3-morpholinopropyl 2-(3-(trifluoromethyl)phenylamino)pyridine-3-carboxylate

Refernces

• 1、 Talath, Sirajunisa,Gadad, Andanappa K.. "Synthesis, stability studies, anti-inflammatory activity and ulcerogenicity of morpholinoalkyl ester prodrugs of niflumic acid". . p. 744 - 752. Retrieved 2007/10/03.
• 2、 Tammara,Narurkar,Crider,Khan. "Morpholinoalkyl ester prodrugs of diclofenac: Synthesis, in vitro and in vivo evaluation". . p. 644 - 648. Retrieved 2007/10/02.