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Chemical Structure| 61413-67-0 Chemical Structure| 61413-67-0

Structure of 61413-67-0

Chemical Structure| 61413-67-0

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Product Details of [ 61413-67-0 ]

CAS No. :61413-67-0
Formula : C13H25ClO2
M.W : 248.79
SMILES Code : CCCCCCCCCCCC(OCCl)=O
MDL No. :MFCD29924218
InChI Key :XCHDYWCWXAASER-UHFFFAOYSA-N
Pubchem ID :543634

Safety of [ 61413-67-0 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:8
UN#:1760
Packing Group:

Application In Synthesis of [ 61413-67-0 ]

* 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 [ 61413-67-0 ]

[ 61413-67-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 39799-77-4 ]
  • [ 61413-67-0 ]
  • 1-methyl-4-imidazolin-2-one-3-methylenedodecanoate [ No CAS ]
  • 2
  • [ 39799-77-4 ]
  • [ 61413-67-0 ]
  • I-methyl-4-imidazolin-2-one-3-methylenedodecanoate [ No CAS ]
  • 1-Methyl-4-imidazolin-2-one-3-methylenedodecanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
43% In water; benzene; EXAMPLE 12 Synthesis of 1-Methyl-4-imidazolin-2-one-3-methylenedodecanoate 1-Methyl-4-imidazolin-2-one (300 mg, 0.003 mol) and sodium hydride (150 mg) were suspended in 10 ml of dry benzene in a dry flask. Chloromethyldodecanoate (0.77 gm, 0.003 mol) was added to the suspension. After the addition was complete, the reaction mixture was stirred at room temperature for 4 hours. The benzene was removed and the residue was taken up with chloroform (40 ml) followed by the addition of 20 ml of water. The chloroform layer was separated and the aqueous phase extracted with chloroform. The combined extracts were dried over anhydrous magnesium sulfate and concentrated to give a solid product. Column chromatography of the solid afforded I-methyl-4-imidazolin-2-one-3-methylenedodecanoate (400 mg, 43%), mp 41-42 C. T.l.c. Rf=0.24 using chloroform as the solvent system. HPLC Rt=5.57 min, acetonitrile(2):water(1), flow rate=2.0 ml/min. Found: C, 66.00; H, 9.40; N, 9.08. Calc for C17 H30 N2 O3: C, 65.77; H, 9.74; N, 9.02%. 1 H n.m.r.(CDCl3): delta0.88(3H, t, J=5 Hz, CH3 CH2 --); 1.35(18H, s, broad, CH3 [CH2 ]9 CH2 --); 2.30(2H, t, J=6 Hz, --COCH2 --); 3.2(3H, s, CH3 N--); 5.53(2H, s, --CH2 O--); 6.08(1H, d, J=3 Hz, HC=CH); 6.38(1H, d, J=3 Hz, HC=CH). numax (BKr): 3200, 3160, 3140(HC=CH); 1745, 1705(C=O); 1250 cm-1 (C-O-C) m/e 310, C17 H30 N2 O3 requires 310.
 

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