4-(3-Hydroxypropyl)morpholine

Base Information

• Chemical Name: 4-(3-Hydroxypropyl)morpholine
• CAS No.: 4441-30-9
• Molecular Formula: C7H15NO2
• Molecular Weight: 145.202
• Hs Code.: 2934999090
• European Community (EC) Number: 805-841-4
• DSSTox Substance ID: DTXSID10196160
• Nikkaji Number: J46.691C
• Wikidata: Q63395529
• Mol file: 4441-30-9.mol

Synonyms:4441-30-9;4-(3-Hydroxypropyl)morpholine;3-Morpholinopropanol;4-Morpholinepropanol;3-morpholinopropan-1-ol;3-(morpholin-4-yl)propan-1-ol;3-morpholin-4-ylpropan-1-ol;3-(4-Morpholinyl)-1-propanol;3-Morpholino-1-propanol;3-Morpholin-4-yl-propan-1-ol;BRN 0105105;gamma-Morpholinopropanol;gamma-Morpholinopropanol [German];MFCD01713533;4-27-00-00122 (Beilstein Handbook Reference);3-(4-Morpholine)propanol;morpholine-propanol;3-(4-morpholinyl)propanol;3-morpholinyl-propan-1-ol;SCHEMBL8458;n(3-hydroxypropyl)morpholine;N-(3-hydroxypropyl)morpholine;4-(3-hydroxypropyl)-morpholine;3-Morpholine-4-yl-propan-1-ol;DTXSID10196160;N-HYDROXYPROPANYLMORPHOLINE;BCP27838;N-(3-HYDOXYPROPYL)MORPHOLINE;4-(3-Hydroxypropyl)morpholine, 95%;AKOS004119314;AS-7030;CS-W002821;SB17606;AC-17217;LS-93349;SY030143;A7049;FT-0658838;H1355;EN300-61968;J-512945;Q63395529;Z149158826

Chemical Property of 4-(3-Hydroxypropyl)morpholine

Chemical Property:

• Vapor Pressure: 0.00319mmHg at 25°C
• Melting Point: 110-111.5 °C
• Refractive Index: n20/D 1.4770(lit.)
• Boiling Point: 251.6 °C at 760 mmHg
• PKA: 15.07±0.10(Predicted)
• Flash Point: 105.9 °C
• PSA: 32.70000
• Density: 1.036 g/cm³
• LogP: -0.36110
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 81.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(3-Hydroxypropyl)morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CCCO
• Uses: 4-(3-Hydroxypropyl)morpholine may be used in the synthesis of macrocyclic urea compounds, which can act as potent Chk1 inhibitors.

Technology Process of 4-(3-Hydroxypropyl)morpholine

There total 2 articles about 4-(3-Hydroxypropyl)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:

4-propyl-morpholine (23949-50-0) → 3-morpholin-4-ylpropan-1-ol (4441-30-9) + 4-(2-hydroxypropyl)morpholine (2109-66-2)

Guidance literature:

With potassium tetrachloroplatinate(II); copper(II) choride dihydrate; sulfuric acid; water; at 150 ℃; for 24h; Sealed tube;

DOI:10.1021/jacs.5b09099

Reference yield:

N-allylmorpholine (696-57-1) → 3-morpholin-4-ylpropan-1-ol (4441-30-9) + 4-(2-hydroxypropyl)morpholine (2109-66-2)

Guidance literature:

With hydrogenchloride; sodium tetrahydroborate; dihydrogen peroxide; sodium carbonate; Yield given. Multistep reaction. Yields of byproduct given; 1.) ether 2.) THF, reflux, 3h;

Reference yield: 97.0%

3-morpholin-4-ylpropan-1-ol (4441-30-9) + 4-bromo-2-(4-methylpiperazin-1-yl)sulfonylphenol → 4-[3-[4-bromo-2-(4-methylpiperazin-1-yl)sulfonylphenoxy]propyl]morpholine

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃; for 0.5h;

upstream raw materials:

N-allylmorpholine

4-propyl-morpholine

Downstream raw materials:

4-fluoro-3-iodo-benzoic acid-(3-morpholino-propyl ester)

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

4-(3-chloropropyl)morpholine

2,4-diphenyl-cyclobutane-1,3-dicarboxylic acid bis-(3-morpholin-4-yl-propyl) ester

Refernces

• 1、 Baboulene, Michel,Torregrosa, Jean-Luc,Speziale, Vincent,Lattes, Armand. "HYDROBORATION D'AMINES ALLYLIQUES. REACTIVITE DES ORGANOBORANES". . p. 565 - 570. Retrieved 2007/10/02.