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Chemical Structure| 1313277-24-5 Chemical Structure| 1313277-24-5
Chemical Structure| 1313277-24-5

(S)-6,6-Dimethylmorpholine-3-carboxylic acid hydrochloride

CAS No.: 1313277-24-5

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Cat. No.: A460069 Purity: 97%

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Product Details of [ 1313277-24-5 ]

CAS No. :1313277-24-5
Formula : C7H14ClNO3
M.W : 195.64
SMILES Code : O=C([C@H]1NCC(C)(C)OC1)O.[H]Cl
MDL No. :MFCD11053601
InChI Key :JCLGQALHYUKMJK-JEDNCBNOSA-N
Pubchem ID :53487570

Safety of [ 1313277-24-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis [ 1313277-24-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1313277-24-5 ]

[ 1313277-24-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 947729-86-4 ]
  • [ 1313277-24-5 ]
YieldReaction ConditionsOperation in experiment
100% With water; sodium hydroxide; In methanol; at 25.0℃; for 2.0h; [00226] Step A: (S)-6,6-dimethylmorpholine-3-carboxylic acid hydrochlorideTo a solution of (5)-methyl 6,6-dimethylmorpholine-3-carboxylate (0.2 g, 1.2 mmol) (The compound was synthesized according to the procedure as described in W02008024692) in anhydrous methanol (4 mL) was added a solution of sodium hydroxide (0.1 g, 2.4 mmol) in water (1 mL). The reaction mixture was stirred at 25 00 for 2 hours, and cooled to 0 0C. The reaction mixture was adjusted to pH 1-2 with con.HCI. The mixture was concentrated in vacuo to give the title compound as a white solid (0.19 g, 100%). The compound was characterized by the following spectroscopic data:MS-ESI: (ESI, pos.ion) m/z: 160.3 [M+1 ff;1H NMR (400 MHz, DMSO-d6): 3.76-3.72 (m. 111), 3,68-3.62 (m, 111), 3.41-3.36 (m, lH),2.66 (d, IH),2.45 (d, 111), 1.11 (s, 311), 1.08 (s, 3H).
100% With sodium hydroxide; In methanol; water; at 25.0℃; for 2.0h; To a solution of (S)-methyl 6,6-dimethylmorpholine-3-carboxylate (0.2 g, 1.2 mmol) (The compound was synthesized according to the procedure as described in WO2008024692) in anhydrous methanol (4 mL) was added a solution of sodium hydroxide (0.1 g, 2.4 mmol) in water (1 mL). The reaction mixture was stirred at 25 C. for 2 hours, and cooled to 0 C. The reaction mixture was adjusted to pH 1-2 with con.HCl. The mixture was concentrated in vacuo to give the title compound as a white solid (0.19 g, 100%). The compound was characterized by the following spectroscopic data: MS-ESI: (ESI, pos.ion) m/z: 160.3 [M+1]+; 1H NMR (400 MHz, DMSO-d6): δ 3.76-3.72 (m, 1H), 3.68-3.62 (m, 1H), 3.41-3.36 (m, 1H), 2.66 (d, 1H), 2.45 (d, 1H), 1.11 (s, 3H), 1.08 (s, 3H).
 

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