1,3-Cyclobutanedione supplier

Name
cyclobutane-1,3-dione
EINECS
CAS No. 15506-53-3
Article Data11
CAS DataBase
Density 1.314 g/cm³
Solubility
Melting Point 119-120 °C
Formula C₄H₄O₂
Boiling Point 226.9 °C at 760 mmHg
Molecular Weight 84.0746
Flash Point 82.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclobutane-1,3-dione;
PSA 34.14000
LogP -0.08160

Synthetic route

: 101901-49-9
3-t-Butoxycyclobutenone

: 15506-53-3
cyclobutane-1,3-dione

Conditions

Conditions	Yield
With trifluoroacetic acid at -10 - 15℃; for 3h;	88%

: 463-51-4
Ketene

: 60-29-7
diethyl ether

: 15506-53-3
cyclobutane-1,3-dione

Conditions

Conditions	Yield
beim Stehen;

: 121-44-8
triethylamine

: 17157-48-1
bromoacetaldehyde

: 15506-53-3
cyclobutane-1,3-dione

Conditions

Conditions	Yield
at 130 - 135℃;

: 4683-54-9
3-ethoxy-2-cyclobuten-1-one

: 15506-53-3
cyclobutane-1,3-dione

Conditions

Conditions	Yield
With hydrogenchloride

1-ethoxy-cyclobuten-(1)-one-(3): 1-ethoxy-cyclobuten-(1)-one-(3)

: 15506-53-3
cyclobutane-1,3-dione

Conditions

Conditions	Yield
With sulfuric acid

: 152897-19-3
1,1,3,3-tetramethoxycyclobutane

: 15506-53-3
cyclobutane-1,3-dione

Conditions

Conditions	Yield
In water formic acid; ethyl acetate

: 2-[4-(4-trifluoromethylphenoxy)phenoxy]propionic acid fluoride

thallium salt of cyclobutane-1,3-dione: thallium salt of cyclobutane-1,3-dione

A: 2-[[2-[4-(4-trifluoromethylphenoxy)phenoxy]propionyl]]cyclobutane-1,3-dione

B: 15506-53-3
cyclobutane-1,3-dione

...Expand

: 15506-53-3
cyclobutane-1,3-dione

: 101-83-7
N-cyclohexyl-cyclohexanamine

: 33689-28-0
cyclobutane-1,2-dione

Conditions

Conditions	Yield
In ethyl acetate	96.7%

: 15506-53-3
cyclobutane-1,3-dione

: 32264-87-2
2-cyclobuten-1-one

Conditions

Conditions	Yield
With chlorine In tetrachloromethane	90%

: 598-32-3
2-hydroxy-3-butene

: 15506-53-3
cyclobutane-1,3-dione

: 25456-01-3
1-methylprop-2-enyl 3-oxobutanoate

Conditions

Conditions	Yield
With dmap In diethyl ether for 15h; Ambient temperature;	87%

: 98-94-2
N,N-dimethyl-cyclohexanamine

: 15506-53-3
cyclobutane-1,3-dione

: 33689-28-0
cyclobutane-1,2-dione

Conditions

Conditions	Yield
In ethyl acetate	83.3%

: 186581-53-3, 908094-01-9
diazomethane

: 15506-53-3
cyclobutane-1,3-dione

: 127230-97-1
3-methoxy-2-cyclobuten-1-one

Conditions

Conditions	Yield
In diethyl ether; dichloromethane at 0℃; for 2h;	82%

: 6329-53-9
(1-hydroxy-allyl)-phosphonic acid dimethyl ester

: 15506-53-3
cyclobutane-1,3-dione

: dimethyl [1-(2-ketobutanoyloxy)-2-propenyl]phosphonate

Conditions

Conditions	Yield
With dmap In tetrahydrofuran; dichloromethane at -20 - 20℃;	82%

: 15506-53-3
cyclobutane-1,3-dione

: 19293-63-1
dicyclohexylmethylamine

: 33689-28-0
cyclobutane-1,2-dione

Conditions

Conditions	Yield
In ethyl acetate	81.4%

: 15506-53-3
cyclobutane-1,3-dione

: 109-89-7
diethylamine

: 33689-28-0
cyclobutane-1,2-dione

Conditions

Conditions	Yield
In ethyl acetate	79.2%

: 15506-53-3
cyclobutane-1,3-dione

: 124-40-3
dimethyl amine

: 171085-81-7
3-Dimethylamino-cyclobut-2-enone

Conditions

Conditions	Yield
In tetrahydrofuran; dichloromethane at 0℃; for 2h;	74%

: 15506-53-3
cyclobutane-1,3-dione

: 125214-80-4
(E)-5-iodo-4-methyl-1-(t-butyldimethylsiloxy)-4-penten-2-ol

: 125215-04-5
(E)-1-iodo-2-methyl-5-(t-butyldimethylsiloxy)-1-penten-4-yl 3-oxo-1-butanoate

Conditions

Conditions	Yield
With dmap In diethyl ether at -23℃; for 16h;	71%

: 15506-53-3
cyclobutane-1,3-dione

: 141-52-6
sodium ethanolate

: 33689-28-0
cyclobutane-1,2-dione

Conditions

Conditions	Yield
With sodium In ethanol; acetonitrile	69%

: 319-78-8, 443-79-8, 1509-34-8, 1509-35-9, 3107-04-8, 7004-09-3, 73-32-5
isoleucine

: 15506-53-3
cyclobutane-1,3-dione

: 5-(1-methylpropyl)-2,4-pyrrolidinedione

Conditions

Conditions	Yield
Stage #1: isoleucine With hydrogenchloride; ethanol Heating / reflux; Stage #2: With sodium ethanolate In ethanol for 0.5h; Stage #3: cyclobutane-1,3-dione With sulfuric acid; sodium ethanolate more than 3 stages;	55.6%
Stage #1: isoleucine With hydrogenchloride In ethanol Heating / reflux; Stage #2: With sodium ethanolate In ethanol for 0.5h; Stage #3: cyclobutane-1,3-dione With sulfuric acid; water; sodium ethanolate more than 3 stages;	55.6%

: 15506-53-3
cyclobutane-1,3-dione

: 595-39-1
DL-isovaline

: C9H13NO3

Conditions

Conditions	Yield
Stage #1: DL-isovaline With hydrogenchloride; ethanol Heating / reflux; Stage #2: With sodium ethanolate In ethanol for 0.5h; Stage #3: cyclobutane-1,3-dione With sulfuric acid; sodium ethanolate more than 3 stages;	53%

: 15506-53-3
cyclobutane-1,3-dione

: 33689-28-0
cyclobutane-1,2-dione

Conditions

Conditions	Yield
With ammonia In acetonitrile	47%

: 2-amino-3-cyanohexanoic acid

: 15506-53-3
cyclobutane-1,3-dione

: C11H14N2O3

Conditions

Conditions	Yield
Stage #1: 2-amino-3-cyanohexanoic acid With hydrogenchloride; ethanol Heating / reflux; Stage #2: With sodium ethanolate In ethanol for 0.5h; Stage #3: cyclobutane-1,3-dione With sulfuric acid; sodium ethanolate more than 3 stages;	45%

: 5977-14-0
acetoacetamido

: 15506-53-3
cyclobutane-1,3-dione

: 15846-31-8
4-amino-2,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid amide

Conditions

Conditions	Yield
With diethyl ether; ammonia at -15 - -10℃; Man erhitzt das entstandene gelbe Oel im Wasserstoffstrom auf 110grad;

: 64-17-5
ethanol

: 15506-53-3
cyclobutane-1,3-dione

: 141-97-9
ethyl acetoacetate

Conditions

Conditions	Yield
With sodium ethanolate
With sulfuric acid

: 15506-53-3
cyclobutane-1,3-dione

: 563-41-7
semicarbazide hydrochloride

: 30540-13-7
1-(3-semicarbazono-butyryl)-semicarbazide

Conditions

Conditions	Yield
With sodium acetate

: 15506-53-3
cyclobutane-1,3-dione

: 52148-44-4
4-bromo-3-oxobutyric acid bromide

Conditions

Conditions	Yield
With tetrachloromethane; bromine

: 15506-53-3
cyclobutane-1,3-dione

: 5977-14-0
acetoacetamido

Conditions

Conditions	Yield
With ammonia at -15 - -10℃;

: 15506-53-3
cyclobutane-1,3-dione

: 541-50-4
2-acetoacetic acid

Conditions

Conditions	Yield
With water

: 15506-53-3
cyclobutane-1,3-dione

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With hydrogen; platinum

: 15506-53-3
cyclobutane-1,3-dione

: 105-45-3
acetoacetic acid methyl ester

Conditions

Conditions	Yield
With methanol; sodium methylate

: 15506-53-3
cyclobutane-1,3-dione

: 520-45-6
Dehydracetic acid

: 15506-53-3
cyclobutane-1,3-dione

: 62-53-3
aniline

: 102-01-2
N-phenylacetoacetamide

: 15506-53-3
cyclobutane-1,3-dione

: 100-63-0
phenylhydrazine

: 67790-05-0
3-phenylhydrazono-butyric acid-(N'-phenyl-hydrazide)

Conditions

Conditions	Yield
With benzene

1,3-Cyclobutanedione Specification

The 1,3-Cyclobutanedione, its CAS registry number is 15506-53-3. This chemical's molecular formula is C₄H₄O₂ and molecular weight is 84.07. What's more, its IUPAC name is Cyclobutane-1,3-dione.

Physical properties of 1,3-Cyclobutanedione are: (1)ACD/LogP: -1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.64; (4)ACD/LogD (pH 7.4): -1.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.05; (8)ACD/KOC (pH 7.4): 2.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 18.7 cm³; (15)Molar Volume: 63.9 cm³; (16)Polarizability: 7.41×10^-24 cm³; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.314 g/cm³; (19)Flash Point: 82.2 °C; (20)Enthalpy of Vaporization: 46.34 kJ/mol; (21)Boiling Point: 226.9 °C at 760 mmHg; (22)Vapour Pressure: 0.08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(=O)CC1=O
(2)InChI: InChI=1S/C4H4O2/c5-3-1-4(6)2-3/h1-2H2
(3)InChIKey: PZQGSZRQKQZCOJ-UHFFFAOYSA-N

Product Name

cyclobutane-1,3-dione

Synthetic route

1,3-Cyclobutanedione Specification

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