4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide

Base Information

• Chemical Name: 4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide
• CAS No.: 205194-33-8
• Molecular Formula: C7H15NO3S

• Molecular Weight: 193.267
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00465751
• Wikidata: Q82291953
• Mol file: 205194-33-8.mol

Synonyms:205194-33-8;4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide;3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol;4-Thiomorpholinepropanol, 1,1-dioxide;3-(1,1-Dioxothiomorpholino)-1-propanol;C7H15NO3S;4-Thiomorpholine propanol 1,1-dixoxide;4-(3-Hydroxypropyl)thiomorpholine1,1-dioxide;SCHEMBL1097459;DTXSID00465751;VAJSFWFPXNWBLF-UHFFFAOYSA-N;MFCD03840678;AKOS009605837;3-(1,1-dioxothiomorpholino)propan-1-ol;3-(1,1-dioxothiomorpholinyl)-1-propanol;AS-63184;CS-0315061;FT-0643911;H1141;3-(1,1-Dioxido-4-thiomorpholinyl)-1-propanol;3-(1,1-dioxidothiomorpholin-4-yl)propan-1-ol;D91004;3-(1, 1-Dioxido-4-thiomorpholinyl)-1-propanol;3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-propanol;A814637;3-(1, 1-dioxo-1, 4-thiazinan-4-yl)propan-1-ol;3-(1,1-Dioxo-1-thiomorpholin-4-yl)-propan-1-ol;3-(1,1-dioxotetrahydro-4H-1,4-thiazin-4-yl)propan-1-ol;3-(1,1-dioxotetrahydro-4H-1,4thiazin-4-yl)propan-1-ol;4-(3-HYDROXYPROPYL)-1??-THIOMORPHOLINE-1,1-DIONE;4-(3-Hydroxypropyl)-1lambda~6~,4-thiazinane-1,1-dione;3-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]propan-1-ol

Chemical Property of 4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 70.0 to 74.0 °C
• Boiling Point: 418.25°C at 760 mmHg
• Flash Point: 206.751°C
• PSA: 65.99000
• Density: 1.241g/cm³
• LogP: 0.11790
• Solubility.: soluble in Methanol
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 193.07726451
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

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

4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS(=O)(=O)CCN1CCCO

Technology Process of 4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide

There total 1 articles about 4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide 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: 90.0%

Divinyl sulfone (77-77-0) + propan-1-ol-3-amine (156-87-6) → 3-(1,1-dioxothiomorpholino)-1-propanol (205194-33-8)

Guidance literature:

Reference yield: 65.6%

3-(1,1-dioxothiomorpholino)-1-propanol (205194-33-8) + methyl 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-amino-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)-2-fluorobenzoate dihydrochloride → methyl 4-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-[[2-(1,1-dioxido-4-thiomorpholinyl)propyl]amino]-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1Hcyclopenta[a]chrysen-9-yl]-2-fluoro-benzoate (1392315-19-3)

Guidance literature:

3-(1,1-dioxothiomorpholino)-1-propanol; With trifluoromethylsulfonic anhydride; triethylamine; dmap; In chloroform-d1; at 0 ℃; for 2h;

methyl 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-amino-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)-2-fluorobenzoate dihydrochloride; With potassium phosphate; potassium iodide; In chloroform-d1; acetonitrile; at 120 ℃; for 66h; Inert atmosphere; Sealed tube;

Reference yield: 47.0%

3-(1,1-dioxothiomorpholino)-1-propanol (205194-33-8) + ethereal hydrogen chloride + 4-(4-bromo-2-fluorophenylamino)-7-hydroxy-6-methoxyquinazoline (196603-96-0) + diethylazodicarboxylate (1972-28-7,218603-74-8) → 4-(4-bromo-2-fluoroanilino)-7-(3-(1,1-dioxothiomorpholino)propoxy)-6-methoxyquinazoline hydrochloride

Guidance literature:

With triphenylphosphine; In methanol; dichloromethane;

upstream raw materials:

Divinyl sulfone

propan-1-ol-3-amine

Downstream raw materials:

3-(1,1-dioxothiomorpholino)-1-propanoltosylate

4-(3-thiomorpholine-1,1-dioxidepropoxy)benzaldehyde

4-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-[[[3-(1,1-dioxido-4-thiomorpholinyl)propoxy]carbonyl]amino]-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1H-cyclopenta[a]chrysen-9-yl] mono-trifluoroacetic acid

methyl 4-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-[[2-(1,1-dioxido-4-thiomorpholinyl)propyl]amino]-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1Hcyclopenta[a]chrysen-9-yl]-2-fluoro-benzoate

Refernces

• 1、 -. "SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS". Page 78. . Retrieved 2010/11/30.
• 2、 -. "Quinoline derivatives having vegf inhibiting activity". . . Retrieved 2008/06/13.