Cyclohexane-1,3-dione | Ketones

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Quality Control of Cyclohexane-1,3-dione Purity: 97% SDS Specification

COA

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NMR

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CNMR

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HPLC

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Product Details of Cyclohexane-1,3-dione

CAS No. :	504-02-9
Formula :	C₆H₈O₂
M.W :	112.13
SMILES Code :	O=C1CC(CCC1)=O
MDL No. :	MFCD00001585
InChI Key :	HJSLFCCWAKVHIW-UHFFFAOYSA-N
Pubchem ID :	10434

Safety of Cyclohexane-1,3-dione

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H312-H315-H319-H335
Precautionary Statements:	P261-P280-P305+P351+P338

Application In Synthesis of Cyclohexane-1,3-dione

* 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 [ 504-02-9 ]

[ 504-02-9 ] Synthesis Path-Downstream 1~35

1
[ 50-00-0 ]
[ 98-55-5 ]
[ 504-02-9 ]
7-(1-Hydroxy-1-methyl-ethyl)-10a-methyl-2,3,4,5,6,7,8,8a,9,10a-decahydro-xanthen-1-one [ No CAS ]

References: [1]Heterocycles,1994,vol. 37,p. 661 - 666.

2
[ 504-02-9 ]
[ 4637-24-5 ]
[ 51169-05-2 ]
1-pyridin-2-yl-1,5,6,7-tetrahydro-4H-indazol-4-one [ No CAS ]

References: [1]Synthesis,2002,p. 1669 - 1674.

3
[ 34595-26-1 ]
[ 504-02-9 ]
2',3',4',4a'-tetrahydro-1'H,6'H-spiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione [ No CAS ]

References: [1]Organic and Biomolecular Chemistry,2018,vol. 16,p. 7109 - 7114.
[2]Russian Chemical Bulletin,2004,vol. 53,p. 1240 - 1247.

4
[ 504-02-9 ]
[ 4494-26-2 ]
[ 109-77-3 ]
5-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-1-(2-deoxypentofuranosyl)pyrimidine-2,4-(1H,3H)-dione [ No CAS ]

References: [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 4052 - 4054.

5
[ 120100-15-4 ]
[ 504-02-9 ]
[ 247903-17-9 ]

Yield	Reaction Conditions	Operation in experiment
14.05 g (84%)		c) 3-(3-Carbomethoxy-2-chloroanilino)cyclohex-2-en-1-one A mixture of <strong>[120100-15-4]methyl 2-chloro-3-aminobenzoate</strong> (11.11 g, 59.86 mM) and 1,3-cyclohexanedione (9.05 g, 80.8 mM) was heated at 120 C. under a stream of nitrogen for 4 hours. The resultant solid was triturated with hot ethyl acetate, then dried in vacuo to afford 14.05 g (84%) of 3-(3-carbomethoxy-2-chloroanilino)cyclohex-2-en-1-one as a yellow orange solid. 1H NMR (CDCl3) delta 7.6 (dt, 1H, J=1 and 8 Hz), 7.3 (t, 1H, J=8 Hz), 6.6 (br s, 1H), 5.62 (s, 1H), 3.95 (s, 3H), 2.6 (t, 2H, J=6 Hz), 2.4 (t, 2H, J=6 Hz), and 2.1 (m, 2H). IR (CHCl3, cm-1) 3050, 2950, 1729, 1536, 1351, 1299, 1290, 1267, and 1135. MS (ES) m/e 278, 280, 282. Elemental Analyses for C14H14NO3Cl: Calculated: C, 60.11; H, 5.04; N, 5.01. Found: C, 57.51; H, 4.99; N, 4.68.

References: [1]Patent: US6177440,2001,B1 .

6
[ 2058-74-4 ]
[ 504-02-9 ]
[ 1194-22-5 ]
[ 1246222-53-6 ]