MORPHOLINIUM CHLORIDE CAS#: 10024-89-2; 凯望编码 (ChemWhat Code): 124790
Identification
| 英文名 | MORPHOLINIUM CHLORIDE |
| IUPAC Name | morpholine;hydrochloride |
| 分子结构 |  |
| CAS编号 | 10024-89-2 |
| 别名 | Morpholine hydrochloride 10024-89-2 Morpholine, hydrochloride Morpholine, hydrochloride (1:1) morpholine;hydrochloride MFCD00035287 28G373717I EINECS 233-029-4 morpholine .HCl UNII-28G373717I morpholine HCl salt morpholine mono HCl salt SCHEMBL337059 AMY721 LCCK0004 Morpholine hydrochloride (1:1) DTXSID40905287 BCP32246 MFCD06656380 MORPHOLINE HYDROCHLORIDE [MI] Morpholine–hydrogen chloride (1/1) AKOS015844537 CS-W013537 DS-4551 SY059143 SY356022 M3284 NS00082491 D70343 EN300-260532 M-3056 Q27254315 |
| 分子式 | C4H10ClNO |
| 分子量 | 123.58 |
| InChI | InChI=1S/C4H9NO.ClH/c1-3-6-4-2-5-1;/h5H,1-4H2;1H |
| InChI Key | JXYZHMPRERWTPM-UHFFFAOYSA-N |
| Isomeric SMILES | C1COCCN1.Cl |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US4097479 | Synthesis of 5-substituted tetrazoles | 1978 |
| US4845219 | Nitrogen- and sulfur-containing lipid compounds their production and use | 1989 |
Physical Data
| Appearance | White Powder |
| Melting Point, °C | Solvent (Melting Point) |
| 205.8 – 206.7 | |
| 174 | |
| 174 – 175 | |
| 175 – 177 | methanol, diethyl ether |
| 158 – 160 | |
| 174 – 176 | |
| 176 – 179 |
| Density, g·cm-3 | Measurement Temperature, °C |
| 1.355 | -60.16 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | water-d2 | 400 |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 400 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 101 |
| Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 | 500 |
| Chemical shifts, Spectrum | 13C | dimethylsulfoxide-d6 | 126 |
| Chemical shifts | 1H | dimethylsulfoxide-d6 | 400 |
| Chemical shifts | 13C | dimethylsulfoxide-d6 | 100.6 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands | potassium bromide |
| Spectrum | nujol |
| Bands | KCl |
| Spectrum | KBr |
| Bands | nujol |
Route of Synthesis (ROS)
| Conditions | Yield |
| With tert.-butylhydroperoxide; copper(ll) sulfate pentahydrate; calcium carbonate In water; acetonitrile at 60℃; for 6h; Inert atmosphere; | 78% |
| With tert.-butylhydroperoxide; sodium carbonate In acetonitrile at 20 – 60℃; for 6h; Inert atmosphere; Green chemistry; | 75% |
| With ferrous(II) sulfate heptahydrate; tert-butyl hydroperoxide; calcium carbonate In water; acetonitrile at 60℃; for 6h; Inert atmosphere; | 74% |
| With tert.-butylhydroperoxide; calcium carbonate In water at 60℃; for 16h; Inert atmosphere; Green chemistry; Experimental Procedure 2.Representative procedure for the tandem oxidative amidation of benzyl alcoholswith amine hydrochloride salts General procedure: Amixture of Fe(NO3)3.9H2O (20 mg, 0.05 mmol,5.0 mol %), TEMPO (15.6 mg, 0.10 mmol, 10 mol %) and benzyl alcohol (1.0 mmol,1 equiv) in acetonitrile (1.0 mL) was stirred under open air at roomtemperature (ca 23 oC) for 2 h. Amine hydrochloride salt (1.2 mmol,1.2 equiv), powdered CaCO3 (110 mg, 1.1 mmol, 1.1 equiv) and TBHP(70 wt% in H2O, 0.16 mL, 1.1 mmol, 1.1 equiv) were added sequentiallyto the mixture. The reaction vessel was capped and allowed to stir at 60 oCfor 16 h. After cooled to room temperature, the volatiles were removed under reducedpressure and the crude product was purified by flash chromatography on silicagel by gradient elution of ethyl acetate in petroleum ether to obtain the amideproduct. All amides were identified by full spectroscopic characterization andcomparison with literature or analogous literature data. | 71% |
| With tert.-butylhydroperoxide; copper nanoparticles on black carbon; sodium carbonate In acetonitrile at 60℃; for 6h; Inert atmosphere; Experimental Procedure General procedure for the synthesis of compounds (2a-v) General procedure: To a mixture of catalyst (20 mg, 3.68 mol %), amine hydrochloride salt (2 mmol) and Na2CO3 (212 mg, 2 mmol) in acetonitrile (1 mL) was added aldehyde (1 mmol) and TBHP (1.5 equiv) under an argon atmosphere at room temperature. The reaction vessel was capped and stirred at 60 °C for 6 h. The progress of the reaction was monitored by thin-layer chromatography. After completion, the reaction mixture was allowed to cool to room temperature, then diluted with ethyl acetate and the catalyst separated from the reaction mixture by filtration. The combined organic layers were concentrated under vacuum and the resulting residue was purified by column chromatography. | 60% |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H312 (95.45%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
| Precautionary Statement Codes | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Under room temperature away from light |
| HS Code | |
| Storage | Under room temperature away from light |
| Shelf Life | 2 years |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 123.582 |
| logP | -0.064 |
| HBA | 2 |
| HBD | 1 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 21.26 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 2 |
| Quantitative Results | ||
| 1 of 26 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Syntheses in the isocamphane series, III. Mannich bases of 1 (3,3 dimethyl 2 exo norbornyl) ethanone and a new analogue of Akineton | |
| 2 of 26 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Varions 2-aminomethylated nucleus-substituted indanones-(1) | |
| 3 of 26 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Benzoxazolinone compounds, compositions and use | |
| 4 of 26 | Comment (Pharmacological Data) | Bioactivities present |
| Reference | Synthesis of 2-thiophene derivatives. |
| Use Pattern |
| MORPHOLINIUM CHLORIDE CAS 10024-89-2 is a important intermediate in organic synthesis, used for the production of various pharmaceuticals, agrochemicals, and dyes. In the medical field, it serves as an intermediate for synthesizing certain drugs, particularly anticancer and antibacterial agents. |
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