1,3-Cyclohexanedione

Names

[ CAS No. ]:
504-02-9

[ Name ]:
1,3-Cyclohexanedione

[Synonym ]:
cyclohexane-1,3-dione
Dihydroresorcinol
EINECS 207-980-0
1,3-Cyclohexanedione
MFCD00001585

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
235.1±23.0 °C at 760 mmHg

[ Melting Point ]:
101-105 °C(lit.)

[ Molecular Formula ]:
C₆H₈O₂

[ Molecular Weight ]:
112.13

[ Flash Point ]:
85.7±19.6 °C

[ Exact Mass ]:
112.052429

[ PSA ]:
34.14000

[ LogP ]:
-0.89

[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.474

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
soluble

MSDS

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
GV0350000

[ HS Code ]:
2914399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Resorcine
2,3-Epoxycyclohexanone
1,4-Dioxa-spiro[4.5]decan-7-one
2-hydroxy-2-(methoxymethyl)cyclopentan-1-one
7-Oxabicyclo[4.1.0]heptan-2-ol
Methyl 5-Oxohexanoate
1,4,8,11-Tetraoxadispiro[4.1.4.3]tetradecane(7CI,8CI,9CI)
3-Methoxy-2-cyclohexen-1-one
3-phenylmethoxycyclohex-2-en-1-one

DownStream

3-hydroxy-2-(2-hydroxy-6-oxocyclohexen-1-yl)sulfanylcyclohex-2-en-1-one
3-(methoxymethoxy)cyclohex-2-en-1-one
2-prop-1-enyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
2-Cyclohexen-1-one,3-[(2-methyl-2-propenyl)oxy]-(9CI)
5,7-dibromo-2,3,4,10-tetrahydroacridine-1,9-dione
3,4-Dihydro-9-[(benzyl)amino]-1(2H)-acridinone
(3-oxocyclohexen-1-yl) trifluoromethanesulfonate
2-((3-OXOCYCLOHEX-1-ENYL)AMINO)BENZENECARBONITRILE
(3-hydroxycyclohexen-1-yl) trifluoromethanesulfonate
2-ethenyl-2-methyl-3,5,6,7-tetrahydro-1-benzofuran-4-one

Customs

[ HS Code ]: 2914299000

[ Summary ]:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

J. Med. Chem. 48 , 2906-15, (2005)

Carboxylesterases (CE) are ubiquitous enzymes responsible for the metabolism of xenobiotics. Because the structural and amino acid homology among esterases of different classes, the identification of ...

[Reaction of pyridinium and quinolinium salts having the leaving group at the 2- or 4-position with active methylene compounds].

Yakugaku Zasshi 126(2) , 99-108, (2006)

The reactions of 2- or 4-cyanopyridinium salts with active methylene compounds such as dimethyl malonate, malononitrile, and cyclohexane-1,3-dione affording 2- or 4-(substituted methylene) pyridines a...

Dimeric cyclohexane-1,3-dione oximes inhibit wheat acetyl-CoA carboxylase and show anti-malarial activity.

Bioorg. Med. Chem. Lett. 20 , 4611-3, (2010)

A series of dimeric 1,3-cyclohexanedione oxime ethers were synthesized and found to have significant antiplasmodial activity with IC(50)'s in the range 3-12 microM. The most active dimer was tested in...

1,3-Cyclohexanedione
1,3-Cyclohexanedione
1,3-Cyclohexanedione-13C6
2-Butyl-1,3-cyclohexanedione
2-Bromo-1,3-cyclohexanedione
4-allyl-1,3-cyclohexanedione
Benzyl 6-bromo-3,3,4-trimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxylate
benzyl N-{[1-(3-bromophenyl)pyrrolidin-3-yl]methyl}carbamate
tert-butyl 8-bromo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carboxylate
tert-butyl 7-bromo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-5-carboxylate
5-(3-Fluorophenyl)-1-oxo-4-(2,2,2-trifluoroacetyl)-1lambda4-thiomorpholine-3-carboxylic acid
2-phenyl-2-[2,2,2-trifluoro-N-(4-methoxyphenyl)acetamido]acetic acid
3-(3-Phenoxyphenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid
2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[1.1.1]pentan-1-yl)pyridine
5-Azaspiro[2.5]octane-5-sulfonyl chloride
1-(4-methylphenyl)-5-(2,2,2-trifluoroacetyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

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