Malondialdehyde supplier | CasNO.542-78-9

Name
propanedial
EINECS
CAS No. 542-78-9
Article Data64
CAS DataBase
Density 0.991g/cm³
Solubility
Melting Point 72-74°
Formula C3H4 O2
Boiling Point 108.3°Cat760mmHg
Molecular Weight 72.0636
Flash Point 28.9°C
Transport Information
Appearance
Safety Moderately toxic by ingestion. Questionable carcinogen with experimental carcinogenic data. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Malonaldehyde(6CI,8CI);1,3-Propanedialdehyde;Diformylmethane;MDA;Malondialdehyde;Malonic aldehyde;Malonic dialdehyde;Malonodialdehyde;Malonyldialdehyde;
PSA 34.14000
LogP -0.22570

Synthetic route

: 17887-80-8
1,3-bis(trimethylsiloxy)propane

: 542-78-9
Malondialdehyde

Conditions

Conditions	Yield
With chromium(VI) oxide; HZSM-5 zeolite for 0.025h; microwave irradiation;	99%

: 113331-81-0, 113331-84-3, 114738-36-2
(1R*,4R*,5S*)-5-phenyl-2,3-dioxabicyclo<2.2.1>heptane

A: 292638-84-7
styrene

B: 542-78-9
Malondialdehyde

: 113331-87-6
(3RS,4SR)-3-hydroxy-4-phenyl-1-cyclopentanone

: 113331-88-7, 120708-35-2, 120708-36-3
(3SR,4SR)-4,5-epoxy-3-phenyl-1-pentanal

: 113331-85-4, 114817-51-5, 114817-54-8, 114817-56-0, 120708-38-5
(1R*,3R*,4S*)-4-phenylcyclopentane-1,3-diol

: 113331-86-5, 113428-36-7, 113428-37-8, 113428-41-4, 119238-85-6
(2ξ,4RS,6SR)-6-phenyltetrahydropyran-2,4-diol

Conditions

Conditions	Yield
With iron(II) sulfate In water; acetonitrile at 0℃; for 0.5h; Product distribution; Mechanism;	A 45% B 39% C 6% D 10% E n/a F n/a

...Expand

: 63942-75-6
PGH2 methyl ester

A: 542-78-9
Malondialdehyde

B: 79171-56-5
(5Z,8E,10E,12S)-12-hydroxy-5,8,10-heptadecatrienoic acid methyl ester

Conditions

Conditions	Yield
With tris(triphenylphosphine)ruthenium(II) chloride In dichloromethane at 19℃; for 4h;	A 41% B n/a
With tris(triphenylphosphine)ruthenium(II) chloride In dichloromethane at 19℃; for 4h;
With tris(triphenylphosphine)ruthenium(II) chloride In dichloromethane at 19℃; for 4h; Product distribution; ruthenium(II) catalyzed reaction of 1,4-endoperoxide;

: 279-35-6
1,3-epiperoxycyclopentane

A: 542-78-9
Malondialdehyde

B: 65842-25-3
3-oxiranepropanal

C: 74-85-1
ethene

D: 16326-97-9
cis-cyclopentane-1,3-diol

E: 26831-63-0
rac-3-hydroxycyclopentanone

Conditions

Conditions	Yield
With tris(triphenylphosphine)ruthenium(II) chloride In dichloromethane-d2 at 0℃; for 0.25h; Product distribution; ruthenium(II) catalyzed reactions of 1,4-endoperoxide;	A 16% B 38% C 31% D 9% E 1%

...Expand

: 113331-81-0, 113331-84-3, 114738-36-2
(1R*,4R*,5S*)-5-phenyl-2,3-dioxabicyclo<2.2.1>heptane

A: 292638-84-7
styrene

B: 542-78-9
Malondialdehyde

: 113331-87-6
(3RS,4SR)-3-hydroxy-4-phenyl-1-cyclopentanone

: 113331-88-7, 120708-35-2, 120708-36-3
(3SR,4SR)-4,5-epoxy-3-phenyl-1-pentanal

Conditions

Conditions	Yield
With iron(II) sulfate In chloroform for 0.5h; Yield given;	A 45 % Chromat. B n/a C 6% D 10%
With iron(II) sulfate In acetonitrile for 30h;	A 45 % Chromat. B n/a C 6% D 10%

...Expand

: 113331-81-0, 113331-84-3, 114738-36-2
(1R*,4R*,5S*)-5-phenyl-2,3-dioxabicyclo<2.2.1>heptane

A: 292638-84-7
styrene

B: 542-78-9
Malondialdehyde

: 113331-87-6
(3RS,4SR)-3-hydroxy-4-phenyl-1-cyclopentanone

: 113331-88-7, 120708-35-2, 120708-36-3
(3SR,4SR)-4,5-epoxy-3-phenyl-1-pentanal

: 113331-85-4, 114817-51-5, 114817-54-8, 114817-56-0, 120708-38-5
(1R*,3R*,4S*)-4-phenylcyclopentane-1,3-diol

F: 119238-85-6
6-Phenyl-tetrahydro-pyran-2,4-diol

Conditions

Conditions	Yield
With iron(II) sulfate In acetonitrile for 0.5h; Product distribution; further electron transfer reag.; var. solv. and time;	A 45 % Chromat. B n/a C 6% D 10% E 1% F n/a

...Expand

: 122-31-6
malondialdehyde bis(diethyl acetal)

: 542-78-9
Malondialdehyde

Conditions

Conditions	Yield
With hydrogenchloride
With hydrogenchloride
With hydrogenchloride In water at 40℃; for 0.666667h;

: 927-63-9
3-dimethylaminoacrolein

: 542-78-9
Malondialdehyde

Conditions

Conditions	Yield
With sodium hydroxide

: 16545-68-9
cyclopropanol

: 542-78-9
Malondialdehyde

Conditions

Conditions	Yield
With chromium(VI) oxide at 25℃; Rate constant;

: 133-99-3, 490-37-9, 2152-98-9, 4482-75-1, 5965-66-2, 13299-27-9, 13360-52-6, 14641-93-1, 15548-43-3, 16462-44-5, 16984-36-4, 16984-38-6, 20869-27-6, 22688-72-8, 27452-49-9, 29276-55-9, 30608-12-9, 34481-13-5, 37169-60-1, 37169-64-5, 64234-01-1, 64234-02-2, 75281-88-8, 80446-85-1, 84413-57-0, 92344-56-4, 93221-87-5, 93301-77-0, 94799-29-8, 100427-98-3, 100428-00-0, 101312-82-7, 102046-24-2, 102046-25-3, 109432-00-0, 109432-02-2, 109432-04-4, 109432-08-8, 135268-49-4, 138231-26-2, 140461-59-2, 145414-22-8, 145414-26-2, 146339-75-5, 146339-76-6, 149116-55-2
Lactose

: 542-78-9
Malondialdehyde

Conditions

Conditions	Yield
In water for 2h; pH=12, ultrasound; var.: pH=(7; 8; 9; 10; 11), time, presence of air;

: 279-35-6
1,3-epiperoxycyclopentane

A: 542-78-9
Malondialdehyde

B: 65842-25-3
3-oxiranepropanal

C: 16326-97-9
cis-cyclopentane-1,3-diol

D: 26831-63-0
rac-3-hydroxycyclopentanone

Conditions

Conditions	Yield
With tris(triphenylphosphine)ruthenium(II) chloride In dichloromethane-d2 at 0℃; for 0.25h; Further byproducts given. Title compound not separated from byproducts;	A 13 % Chromat. B 38 % Chromat. C 9 % Chromat. D 1 % Chromat.

...Expand

: 102-52-3
malonaldehydebis(dimethylacetal)

: 542-78-9
Malondialdehyde

Conditions

Conditions	Yield
With hydrogenchloride
With hydrogenchloride Heating;
With hydrogenchloride at 37℃; for 1h;

: 50-99-7
D-glucose

: 542-78-9
Malondialdehyde

Conditions

Conditions	Yield
In water for 2h; pH=12, ultrasound; var.: pH:(7; 8; 9; 10; 11), time, presence of:air, O2, N2, CO2, N2O, Br(-); vibration; stirring;

: 506-32-1
all cis 5,8,11,14-eicosatetraenoic acid

: 542-78-9
Malondialdehyde

Conditions

Conditions	Yield
With 0.025 unit xanthine oxidase; 5-amino-2,3-dihydrophthalazine-1,4-dione; 1,7-dihydro-6H-purin-6-one; sodium chloride; lubrol In water at 37℃; for 1h; Product distribution; further unsaturated fatty acids, concentration, effect of SOD;

: 130859-95-9
1-<<<2-(Acetyloxy)acetyl>oxy>-3-oxopropyl>thymine

A: 542-78-9
Malondialdehyde

B: 79251-82-4
trans-1-(3-Oxoprop-1-enyl)thymine

C: 65-71-4
thymin

Conditions

Conditions	Yield
With water at 25℃; Product distribution; Mechanism; Rate constant; effect of pH;

...Expand

: 75526-82-8
anhydro-1-hydroxy-3-oxo-2-phenylpyrazolo<1,2-a>pyrazolium hydroxide

A: 542-78-9
Malondialdehyde

B: 106367-54-8
3,5-dihydroxy-3-phenylpyrazole

Conditions

Conditions	Yield
With morpholine In water; acetonitrile at 25℃; Rate constant;

: 79815-62-6
C12H7ClN2O2

A: 542-78-9
Malondialdehyde

B: 106367-56-0
4-(p-methoxyphenyl)-3,5-dihydroxypyrazole

Conditions

Conditions	Yield
With morpholine In water; acetonitrile at 25℃; Rate constant; other solvents;

: 79815-63-7
C13H10N2O3

A: 542-78-9
Malondialdehyde

B: 106367-55-9
3,5-dihydroxy-4-(p-methoxyphenyl)pyrazole

Conditions

Conditions	Yield
With morpholine In water; acetonitrile at 25℃; Rate constant;

: 79815-59-1
C12H7N3O4

A: 542-78-9
Malondialdehyde

B: 119350-25-3
3,5-dihydroxy-4-(p-nitrophenyl)pyrazole

Conditions

Conditions	Yield
With morpholine In water; acetonitrile at 25℃; Rate constant;

: 78880-62-3
3-(β-D-pentofuranosyl)pyrimido<1,2-a>purin-10(3H)-one

A: 542-78-9
Malondialdehyde

B: 118-00-3
G

Conditions

Conditions	Yield
With sodium hydroxide; water at 45℃;

: 141-46-8
Glycolaldehyde

A: 67-56-1
methanol

B: 50-00-0
formaldehyd

C: 542-78-9
Malondialdehyde

Conditions

Conditions	Yield
In water at 80℃; Product distribution; Irradiation; products were detected by 13C nmr and UV; add of 2-mercapto-4,6-dihydropyrimidine in 15percent aq CCl3COOH at 80 deg C; add of dimedone;

...Expand

: 77714-24-0
((E)-3-Oxo-propenylamino)-acetic acid methyl ester

A: 542-78-9
Malondialdehyde

B: 616-34-2
methoxycarbonylmethylamine

Conditions

Conditions	Yield
With water Rate constant; Equilibrium constant; Ambient temperature; acetate buffer (pH 4.2); enaminal hydrolysis; stereochemistry and kinetics of formation of enaminals from reactions of malondiladehydes with various amino acids;

: 77714-26-2
2-((E)-3-Oxo-propenylamino)-propionic acid methyl ester

A: 542-78-9
Malondialdehyde

B: 7625-53-8, 10065-72-2, 21705-13-5
rac-Ala-OMe

Conditions

Conditions	Yield
With water Rate constant; Equilibrium constant; Ambient temperature; acetate buffer (pH 4.2); enaminal hydrolysis; stereochemistry and kinetics of formation of enaminals from reactions of malondialdehydes with various amino acids;

: 113331-81-0, 113331-84-3, 114738-36-2
(1R*,4R*,5S*)-5-phenyl-2,3-dioxabicyclo<2.2.1>heptane

A: 292638-84-7
styrene

B: 542-78-9
Malondialdehyde

: 113331-88-7, 120708-35-2, 120708-36-3
(3SR,4SR)-4,5-epoxy-3-phenyl-1-pentanal

: 113331-85-4, 114817-51-5, 114817-54-8, 114817-56-0, 120708-38-5
(1R*,3R*,4S*)-4-phenylcyclopentane-1,3-diol

Conditions

Conditions	Yield
With meso-tetraphenylporphyrin iron(III) chloride In chloroform-d1 for 26h;	A 55 % Chromat. B n/a C 28 % Chromat. D n/a
With Rh(I)(Ph3P)Cl In chloroform-d1 for 16h;	A 26 % Chromat. B n/a C 13 % Chromat. D 17 % Chromat.

...Expand

: 77714-28-4
2-Acetylamino-6-((E)-3-oxo-propenylamino)-hexanoic acid methyl ester

A: 542-78-9
Malondialdehyde

B: 687984-51-6
Nα-acetyl-lysine methyl ester

Conditions

Conditions	Yield
With water Rate constant; Equilibrium constant; Ambient temperature; acetate buffer (pH 4.2); enaminal hydrolysis; stereochemistry and kinetics of formation of enaminals from reactions of malondialdehydes with various amino acids;

: 77714-34-2
3-(4-Hydroxy-phenyl)-2-((E)-3-oxo-propenylamino)-propionic acid methyl ester

A: 542-78-9
Malondialdehyde

B: 1080-06-4, 3410-66-0, 18869-47-1
tyrosine methyl ester

Conditions

Conditions	Yield
With water Rate constant; Equilibrium constant; Ambient temperature; acetate buffer (pH 4.2); enaminal hydrolysis; stereochemistry and kinetics of formation of enaminals from reactions of malondialdehydes with various amino acids;

: 77714-38-6
3-(1H-Imidazol-4-yl)-2-((E)-3-oxo-propenylamino)-propionic acid methyl ester

A: 542-78-9
Malondialdehyde

B: 1499-46-3, 10331-70-1, 17720-12-6, 62013-45-0
histidine methyl ester

Conditions

Conditions	Yield
With water Rate constant; Equilibrium constant; Ambient temperature; acetate buffer (pH 4.2); enaminal hydrolysis; stereochemistry and kinetics of formation of enaminals from reactions of malondialdehydes with various amino acids;

: 77714-36-4
5-Guanidino-2-((E)-3-oxo-propenylamino)-pentanoic acid methyl ester

A: 542-78-9
Malondialdehyde

B: 220195-51-7
arginine methyl ester

Conditions

Conditions	Yield
With water Rate constant; Equilibrium constant; Ambient temperature; acetate buffer (pH 4.2); enaminal hydrolysis; stereochemistry and kinetics of formation of enaminals from reactions of malondialdehydes with various amino acids;

: 77714-30-8
6-Acetylamino-2-((E)-3-oxo-propenylamino)-hexanoic acid methyl ester

A: 542-78-9
Malondialdehyde

B: 25528-51-2
ε-acetyllysine methyl ester

Conditions

Conditions	Yield
With water Rate constant; Equilibrium constant; Ambient temperature; acetate buffer (pH 4.2); enaminal hydrolysis; stereochemistry and kinetics of formation of enaminals from reactions of malondialdehydes with various amino acids;

: 506-32-1
all cis 5,8,11,14-eicosatetraenoic acid

A: 542-78-9
Malondialdehyde

B: (5Z,8Z,10Z)-12-Hydroxy-heptadeca-5,8,10-trienoic acid

Conditions

Conditions	Yield
With calcimycin; disodium hydrogenphosphate; potassium dihydrogenphosphate; platelet suspension of pig blood In water; dimethyl sulfoxide at 37℃; Kinetics; Mechanism; also with additives;

: 542-78-9
Malondialdehyde

: 2564-83-2, 45842-10-2
2,2,6,6-Tetramethyl-1-piperidinyloxy free radical

: C12H21NO3

Conditions

Conditions	Yield
With thieno[3,2-b]thiophene-2,5-dicarbaldehyde-4,4′,4′′,4′′′-(benzo[1,2-d:4,5-d′]bis(oxazole)-2,4,6,8-tetrayl)tetraaniline-integrated covalent organic frameworks In acetonitrile at 20℃; for 24h; Irradiation; Green chemistry;	98%

: 542-78-9
Malondialdehyde

: 109-12-6
2-aminopyrimidine

Conditions

Conditions	Yield
	97%

: 542-78-9
Malondialdehyde

: 57-67-0
1-amino-4-({[amino(imino)methyl]amino}sulfonyl)benzene

: 68-35-9
sulfadiazine

Conditions

Conditions	Yield
With sodium methylate In methanol at 65℃; for 2h; Temperature;	89%

: 542-78-9
Malondialdehyde

: 107-91-5
cyanoacetic acid amide

: 20577-27-9
2-hydroxy-3-cyanopyridine

Conditions

Conditions	Yield
With acetic acid In dichloromethane at 15℃; for 5.5h; Reflux;	88%

: 542-78-9
Malondialdehyde

: 64-17-5
ethanol

: 87-48-9
5-Bromo-1H-indole-2,3-dione

: (R)-5-bromo-1-ethyl-2-oxospiro[indoline-3,2'-oxete]-3'-carbaldehyde

Conditions

Conditions	Yield
With ferrocene; palladium diacetate In benzene at 90℃; for 6h;	85%

...Expand

: 542-78-9
Malondialdehyde

: 3-fluoro-5-hydrazinobenzoic acid methyl ester

: 6-fluoro-3-carbaldehyde-1H-indole-4-carboxylic acid methyl ester

Conditions

Conditions	Yield
With disodium hydrogenphosphate; formic acid In water at 40℃; for 5h; Reagent/catalyst; Solvent; Temperature; Fischer Indole Synthesis; Green chemistry;	84.6%

: 542-78-9
Malondialdehyde

: 91912-53-7
5-(pyridin-4-yl)-1H-pyrazol-3-amine

: 905281-89-2
2-(pyridin-4-yl)pyrazolo[1.5-a]pyrimidine

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) chloride In ethanol; water for 1h; Heating / reflux;	81%

: 542-78-9
Malondialdehyde

: 7477-63-6
7-chloroisatin

: 100-51-6
benzyl alcohol

: C18H12ClNO3

Conditions

Conditions	Yield
With ferrocene; palladium diacetate In benzene at 90℃; for 6h;	81%

...Expand

: 542-78-9
Malondialdehyde

: 86538-56-9
1-(3-methyl-4-nitro-1-phenyl-1H-pyrazol-5-yl)hydrazine

: 86538-57-0
3'-methyl-4'-nitro-1'-phenyl-1,5'-bipyrazole

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water for 1h; Reflux;	80%

: 67-56-1
methanol

: 542-78-9
Malondialdehyde

: 17630-76-1
5-chloroindole 2,3-dione

: (R)-5-chloro-1-methyl-2-oxospiro[indoline-3,2'-oxete]-3'-carbaldehyde

Conditions

Conditions	Yield
With ferrocene; palladium diacetate In tetrahydrofuran at 80℃; for 6h;	77%

...Expand

: 542-78-9
Malondialdehyde

A: 122129-93-5
(E)-(3'-oxo-1'-propenyl)malondialdehyde Na salt

B: 143022-70-2
2,4-dihydroxymethylene-3-methylglutaraldehyde Na salt

C: 122129-97-9
2,4-dihydroxymethylene-3-(2,2-dimethoxyethyl)glutaraldehyde Na salt

D: malondialdehyde sodium salt

Conditions

Conditions	Yield
With sodium hydroxide In water Ambient temperature; pH 5-7;	A 0.5% B 1% C 6% D 75%

...Expand

: 67-56-1
methanol

: 542-78-9
Malondialdehyde

: 7477-63-6
7-chloroisatin

: (R)-7-chloro-1-methyl-2-oxospiro[indoline-3,2'-oxete]-3'-carbaldehyde

Conditions

Conditions	Yield
With ferrocene; palladium diacetate at 80℃; for 6h;	74%

...Expand

: 542-78-9
Malondialdehyde

: 14205-39-1
methyl 3-aminocrotonate

: 65719-09-7
methyl 2-methylnicotinate

Conditions

Conditions	Yield
In methanol at 60℃; for 7h; Temperature;	73.4%

: 67-56-1
methanol

: 542-78-9
Malondialdehyde

: 87-48-9
5-Bromo-1H-indole-2,3-dione

: (R)-5-bromo-1-methyl-2-oxospiro[indoline-3,2'-oxete]-3'-carbaldehyde

Conditions

Conditions	Yield
With ferrocene; palladium diacetate In tetrachloromethane at 80℃; for 6h;	72%

...Expand

: 542-78-9
Malondialdehyde

: 71261-26-2
3-methyl-4-ethoxybenzyl chloride

: 141-52-6
sodium ethanolate

: 355409-62-0
(3-methyl-4-ethoxybenzyl)malonic acid diethyl ester

Conditions

Conditions	Yield
In ethanol for 12h; Heating;	70%

...Expand

: 67-56-1
methanol

: 542-78-9
Malondialdehyde

: 20780-74-9
7-bromoisatin

: (R)-7-bromo-1-methyl-2-oxospiro[indoline-3,2'-oxete]-3'-carbaldehyde

Conditions

Conditions	Yield
With ferrocene; palladium diacetate In tetrachloromethane at 80℃; for 6h;	70%

...Expand

: 542-78-9
Malondialdehyde

: 355409-61-9
3-methyl-4-propoxybenzyl chloride

: 141-52-6
sodium ethanolate

: 355409-63-1
(3-methyl-4-propoxybenzyl)malonic acid diethyl ester

Conditions

Conditions	Yield
In ethanol for 12h; Heating;	69%

...Expand

: 542-78-9
Malondialdehyde

: 60736-72-3
3-methyl-4-iso-propoxybenzyl chloride

: 141-52-6
sodium ethanolate

: 355409-64-2
(3-methyl-4-iso-propoxybenzyl)malonic acid diethyl ester

Conditions

Conditions	Yield
In ethanol for 12h; Heating;	68%

...Expand

: 120-72-9
indole

: 542-78-9
Malondialdehyde

: (1R/S, 3R/S)-1,3-di(1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole

B: 1,1,3,3-tetra(1H-indol-3-yl)propane

Conditions

Conditions	Yield
With acetic acid at 20℃;	A 20% B 68%

...Expand

: 542-78-9
Malondialdehyde

: 626-34-6, 7318-00-5, 41867-20-3
ethyl aminocrotonate

: 1721-26-2
ethyl 2-methyl nicotinate

Conditions

Conditions	Yield
In ethanol at 50℃; for 6h; Temperature;	67.4%

: 542-78-9
Malondialdehyde

: 1830-54-2
3-oxopentanedioic acid dimethyl ester

A: 36669-06-4
dimethyl 2-hydroxyisophthalate

: 77589-54-9
(1R,4S,5R,8S)-3,7-Dihydroxy-bicyclo[3.3.1]nona-2,6-diene-2,4,6,8-tetracarboxylic acid tetramethyl ester

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 25℃; pH: 7;	A n/a B 67%
pH: 4.5;	A 43% B n/a

...Expand

: 40018-26-6
1,4-dithiane-2,5-diol

: 542-78-9
Malondialdehyde

: 498-62-4
3-thiophene carboxaldehyde

Conditions

Conditions	Yield
With diethylamine at 70℃; for 6h; Temperature; Reagent/catalyst;	65%

: 542-78-9
Malondialdehyde

: ethyl 2-(2-cyanoacetamido)-4-((8S,9R,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)thiophene-3-carboxylate

: ethyl 2-(3-cyano-2-oxopyridin-1(2H)-yl)-4-((8S,9R,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)thiophene-3-carboxylate

Conditions

Conditions	Yield
With piperidine In ethanol for 7h; Reflux;	64%

: 542-78-9
Malondialdehyde

: 2-cyano-N-(3-cyano-4-((8S,9R,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)thiophen-2-yl)acetamide

: 1-(3-cyano-4-((8S,9R,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)thiophen-2-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

Conditions

Conditions	Yield
With piperidine In ethanol for 7h; Reflux;	63%

: 542-78-9
Malondialdehyde

: 64-17-5
ethanol

: 60736-71-2
3-methyl-4-methoxybenzyl chloride

: 141-52-6
sodium ethanolate

: 93164-37-5
(3-methyl-4-methoxybenzyl)malonic acid diethyl ester

Conditions

Conditions	Yield
In ethanol for 12h; Heating;	60%

...Expand

: 542-78-9
Malondialdehyde

: 120738-89-8
nitenpyram

: N1,N7-bis((6-chloropyridin-3-yl)methyl)-N1,N7-diethyl-N1',N7'-dimethyl-2,5-dinitrohepta-2,5-dienediamidine

Conditions

Conditions	Yield
hydrogenchloride In water; acetonitrile at 20℃;	56%

: 542-78-9
Malondialdehyde

: 120738-89-8
nitenpyram

: N1,N7-bis((6-chloropyridin-3-yl)methyl)-N1,N7-diethyl-N1',N7'-dimethyl-2,6-dinitrohepta-2, 5-dienediamidine

Conditions

Conditions	Yield
hydrogenchloride In water; acetonitrile at 20℃;	56%

: 542-78-9
Malondialdehyde

: 61-82-5
3-amino-1,2,4-triazole

: 275-02-5
1-deaza-5-azapurine

Conditions

Conditions	Yield
at 160℃;	55%

: 542-78-9
Malondialdehyde

: 1-((6-chloropyridin-3-yl)methyl)-2-(nitromethylene)hexahydropyrimidine

: 1-((6-chloropyridin-3-yl)methyl)-2-(5-(1-((6-chloropyridin-3-yl)methyl)-1,4,5,6-tetrahydropyrimidin-2-yl)-1,5-dinitropenta-1,4-dienyl)-1,4,5,6-tetrahydropyrimidine

Conditions

Conditions	Yield
hydrogenchloride In water; acetonitrile at 20℃;	55%
hydrogenchloride In water; acetonitrile at 20℃;	55%

Malondialdehyde Consensus Reports

Consensus of Propanedial (542-78-9):
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 36 ,1985,p. 163.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.

Malondialdehyde Specification

Malondialdehyde is the organic compound with the formula CH₂(CHO)₂. With the CAS NO.542-78-9, it is also called propanedial; 1,3-Propanedione; 3-Oxopropanal; Malonyl dialdehyde. Malondialdehyde is a highly reactive compound that is not typically observed in pure form. Malondialdehyde is generated from reactive oxygen species (ROS), and as such is assayed in vivo as a bio-marker of oxidative stress.

Physical properties about Malondialdehyde are: (1)ACD/LogP: -0.987; (2)ACD/LogD (pH 5.5): -2.05; (3)ACD/LogD (pH 7.4): -3.35; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.367; (11)Molar Refractivity: 16.321 cm³; (12)Molar Volume: 72.693 cm³; (13)Polarizability: 6.47 10-24cm³; (14)Surface Tension: 29.3999996185303 dyne/cm; (15)Density: 0.991 g/cm³; (16)Flash Point: 28.881 °C; (17)Enthalpy of Vaporization: 34.713 kJ/mol; (18)Boiling Point: 108.332 °C at 760 mmHg; (19)Vapour Pressure: 26.0349998474121 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2;
(2)InChIKey=WSMYVTOQOOLQHP-UHFFFAOYSA-N;
(3)SmilesC(C=O)C=O;

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	606mg/kg (606mg/kg)		Acta Universitatis Ouluensis, Series D: Medica. Vol. 55, Pg. 3, 1980.
rat	LD50	oral	632mg/kg (632mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: MUSCLE WEAKNESS	Toxicology and Applied Pharmacology. Vol. 7, Pg. 826, 1965.

Product Name

propanedial

Synthetic route

Malondialdehyde Consensus Reports

Malondialdehyde Specification

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