Conditions | Yield |
---|---|
With nanophase manganese (VII) oxide coated clay (NM7O coated clay) In toluene at 40℃; for 3h; | 99% |
With water; dihydrogen peroxide In various solvent(s) at 20℃; for 0.166667h; Oxidation; Dimerization; | 94% |
CoCl2 In acetonitrile Ambient temperature; | 90% |
Conditions | Yield |
---|---|
With 1,2-bis(5-methylisoxazol-3-yl)hydrazine; sodium carbonate; thiourea In water; acetonitrile at 80℃; for 2h; | 95% |
With sodium sulfide trihydrate; hexachloroethane at 20℃; for 0.833333h; Reagent/catalyst; | 93% |
With Sodium thiosulfate pentahydrate; water; dimethyl sulfoxide at 50 - 60℃; for 3.5h; pH=< 3; | 91% |
Conditions | Yield |
---|---|
With lithium sulfide; sulfur; cetyl trimethyl ammonium bromide In chloroform; water for 1h; Ambient temperature; | 95% |
With 1,2-bis(5-methylisoxazol-3-yl)hydrazine; sodium carbonate; thiourea In water; acetonitrile at 80℃; for 3h; | 92% |
With sodium sulfide trihydrate; hexachloroethane at 20℃; for 1h; Reagent/catalyst; | 91% |
Conditions | Yield |
---|---|
With tetrachloromethane; water; triethylamine In glycerol at 50℃; for 12h; | 94% |
With sodium carbonate In water; acetonitrile at 80℃; for 3h; | 92% |
Conditions | Yield |
---|---|
With sodium carbonate; sulfur; thiourea In water at 70℃; for 5h; Green chemistry; | 90% |
Conditions | Yield |
---|---|
With sodium carbonate In water; acetonitrile at 80℃; for 3h; | 87% |
Conditions | Yield |
---|---|
With samarium; titanium tetrachloride In tetrahydrofuran at 0℃; | 82% |
S-allyl ethanethioate
diallyl disulphide
Conditions | Yield |
---|---|
Stage #1: S-allyl ethanethioate With hydrogenchloride; water In methanol at 50℃; Stage #2: With iodine In methanol; water at 0℃; for 0.75h; | 82% |
Conditions | Yield |
---|---|
With hydrogen sulfide; dimethyl sulfoxide at 50℃; for 3h; | 76.3% |
Conditions | Yield |
---|---|
With hydrogen sulfide In dimethyl sulfoxide at 40℃; for 3h; | A 11% B 50.8% |
2-(allylthio)benzo[d]oxazole
chloroform
A
benzoxazole
B
diallyl disulphide
Conditions | Yield |
---|---|
With sodium hydroxide; tetrabutylammomium bromide at 45 - 55℃; for 25h; Rearrangement; disproportionation; | A 37% B 21% C n/a |
2-(allylthio)-1H-benzimidazole
chloroform
A
2-(allylthio)benzo[d]oxazole
B
diallyl disulphide
C
1,2-diallyl sulfanyl-1H-benzoimidazole
Conditions | Yield |
---|---|
With sodium hydroxide; tetrabutylammomium bromide at 45 - 55℃; for 18h; Rearrangement; substitution; disproportionation; allylation; Further byproducts given; | A 5% B 37% C n/a D n/a |
2-allylmercapto-1,3-benzothiazole
chloroform
A
1,3-Benzothiazole
B
diallyl disulphide
C
diallyl sulphide
Conditions | Yield |
---|---|
With sodium hydroxide; tetrabutylammomium bromide at 45 - 55℃; for 25h; Rearrangement; disproportionation; Further byproducts given; | A 24% B 24% C 15% D n/a |
2-allylmercapto-1,3-benzothiazole
chloroform
A
1,3-Benzothiazole
B
diallyl disulphide
C
diallyl sulphide
D
2,2'-benzothiazolyl
Conditions | Yield |
---|---|
With sodium hydroxide; tetrabutylammomium bromide at 45 - 55℃; for 25h; Rearrangement; disproportionation; Further byproducts given; | A 24% B 24% C 15% D 2% |
Conditions | Yield |
---|---|
With diethyl ether; sodium disulfide | |
With carbon disulfide; potassium hydroxide In dimethyl sulfoxide for 2h; | 0.5 g |
Conditions | Yield |
---|---|
With sodium tetrasulfide; diethyl ether |
Conditions | Yield |
---|---|
at 90 - 95℃; |
Conditions | Yield |
---|---|
In dimethyl sulfoxide for 2h; Yield given. Yields of byproduct given; |
S-allyl cysteine
A
diallyl disulphide
B
allicin
C
bis-2-propenyl thiosulfonate
D
sodium pyruvate
Conditions | Yield |
---|---|
With nitrogen(II) oxide In water for 24h; Ambient temperature; Yield given. Yields of byproduct given; |
S-allyl cysteine
A
diallyl disulphide
B
allicin
C
bis-2-propenyl thiosulfonate
D
2-oxo-propionic acid
Conditions | Yield |
---|---|
With nitrogen(II) oxide; trifluoroacetic acid In water for 5h; Mechanism; Ambient temperature; other time; also in absence of CF3COOH; |
allicin
A
3-vinyl-4H-<1,2>-dithiin
B
diallyl disulphide
C
diallyl trisulfide
D
2‐ethenyl‐4H‐1,3‐dithiine
Conditions | Yield |
---|---|
In chloroform-d1 at 25℃; for 144h; | A 0.008 g B 0.03 g C 0.01 g D 0.015 g |
allicin
A
3-vinyl-4H-<1,2>-dithiin
B
diallyl disulphide
C
diallyl trisulfide
D
2‐ethenyl‐4H‐1,3‐dithiine
E
(Z)-ajoene
F
(E)-ajoene
Conditions | Yield |
---|---|
at 37℃; for 48h; Product distribution; other temperatures, other times; |
2-propenyl ethaneimidothiolate hydrobromide
diallyl disulphide
Conditions | Yield |
---|---|
With sodium hydroxide |
benzyl chloride
N-methyl-N-<(2-propenylthio)methylene>methanaminium bromide
A
diallyl disulphide
B
allyl(benzyl)sulfide
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol for 10h; |
chloroacetic acid ethyl ester
N-methyl-N-<(2-propenylthio)methylene>methanaminium bromide
A
diallyl disulphide
B
ethyl 2-(allylthio)acetate
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol for 10h; |
N-methyl-N-<(2-propenylthio)methylene>methanaminium bromide
diallyl disulphide
Conditions | Yield |
---|---|
With sodium hydroxide |
N-methyl-N-<(2-propenylthio)methylene>methanaminium bromide
α-bromoacetophenone
A
diallyl disulphide
B
2-(allylthio)-1-phenylethan-1-one
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol for 10h; |
allyl bromide
A
diallyl disulphide
B
diallyl trisulfide
C
diallyl tetrasulfide
Conditions | Yield |
---|---|
With polysulfide; tetraethylammonium perchlorate In N,N-dimethyl-formamide in situ electrochemical generation of polysulfide from carbon-sulfur cathode; Title compound not separated from byproducts; |
N-allyl isothiocyanate
A
diallyl disulphide
B
diallyl sulphide
C
allyl thiocyanate
D
diallyl trisulfide
E
N,N'-diallylthiourea
Conditions | Yield |
---|---|
In water at 100℃; for 1h; thermal degradation; var. pH; |
diallyl disulphide
3,6-dihydro-[1,2]dithiine
Conditions | Yield |
---|---|
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride at 90℃; | 100% |
With bis[1,1-di(trifluoromethyl)ethoxy][(2,6-diisopropylphenyl)imino](2-methyl-2-phenylpropylidene)molybdenum In benzene-d6 at 20℃; for 1h; Product distribution; further catalyst, variation of the reaction time; catalytic ring-closing metathesis of further acyclic dienes; | 77 % Spectr. |
With bis[1,1-di(trifluoromethyl)ethoxy][(2,6-diisopropylphenyl)imino](2-methyl-2-phenylpropylidene)molybdenum In benzene-d6 at 20℃; for 1h; | 77 % Spectr. |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane-d2 for 4h; Heating; | 100 % Spectr. |
Conditions | Yield |
---|---|
With 3,3-dimethyldioxirane In acetone at -50 - -20℃; for 0.75h; Product distribution / selectivity; Inert atmosphere; | 96% |
With Peroxyformic acid In methanol at 0℃; for 0.25h; Reagent/catalyst; | 92% |
With peracetic acid; sodium carbonate In chloroform at 0℃; 1.) 30 min; 2.) 30 min; | 90% |
Conditions | Yield |
---|---|
With indium; ammonium chloride In ethanol for 1h; Reduction; Heating; | 95% |
With magnesium In methanol; benzene for 1.66667h; Ambient temperature; | 83% |
diallyl disulphide
3-mercaptopropionic acid
3-(prop-2-en-1-yldisulfanyl)propanoic acid
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; diethyl ether at 20℃; for 24h; Inert atmosphere; | 92% |
With sodium hydroxide In methanol; diethyl ether at 25℃; for 24.5h; Inert atmosphere; | 84% |
With sodium hydroxide In methanol; diethyl ether at 20℃; for 24h; Inert atmosphere; | 63% |
With sodium hydroxide In methanol; diethyl ether; water at 20℃; for 24h; | 28% |
With sodium hydroxide at 20℃; for 24h; Reflux; Inert atmosphere; |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; for 0.5h; | 89% |
trimethoxysilane
diallyl disulphide
bis-(3-trimethoxysilylpropyl)-disulphide
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; cyclo-octa-1,5-diene In dichloromethane-d2 at 20℃; for 6h; Reagent/catalyst; | 89% |
diallyl disulphide
1,1-dibromo-2,2-dimethylcyclopropane
1-bromo-2,2-dimethylcyclopropyl allyl sulfide
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran; diethyl ether 2 h, < -95 deg C, 1.5 h; | 78% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 80℃; for 4h; Inert atmosphere; Sealed tube; | 78% |
1-vinyl-3,4,5-tribromo-1H-pyrazole
diallyl disulphide
Conditions | Yield |
---|---|
Stage #1: 1-vinyl-3,4,5-tribromo-1H-pyrazole With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.0333333h; Stage #2: diallyl disulphide In tetrahydrofuran; hexane at -78 - 20℃; for 2h; | 77% |
diallyl disulphide
4-t-butylbenzenethiol
B
bis(4-tert-butylphenyl)disulfide
Conditions | Yield |
---|---|
With triethylamine In methanol at 40℃; | A n/a B 20% C 75% |
diallyl disulphide
4-mercaptobenzoic acid
allyl (4-carboxyphenyl)disulfide
Conditions | Yield |
---|---|
With triethylamine at 60℃; for 8h; pH=4; | 74.3% |
diallyl disulphide
4-t-butylbenzenethiol
A
bis(4-tert-butylphenyl)disulfide
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 40℃; | A 71% B 29% |
diallyl disulphide
benzenediazonium tetrafluoroborate
allyl phenyl thioether
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 25℃; for 30h; Inert atmosphere; Green chemistry; | 71% |
diallyl disulphide
valeraldoxime
Conditions | Yield |
---|---|
With N-chloro-succinimide; triethylamine | 68% |
Conditions | Yield |
---|---|
With triethylamine In methanol at 40℃; for 24h; Time; | 68% |
diallyl disulphide
Isobutyl iodide
(E)-3-Allylsulfanyl-1-isobutylsulfanyl-propene
Conditions | Yield |
---|---|
With potassium hydroxide In dimethyl sulfoxide at 40℃; for 2h; | 65.6% |
Conditions | Yield |
---|---|
Stage #1: 4-bromo-1-phenyl-1H-pyrazole With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.75h; Stage #2: diallyl disulphide In tetrahydrofuran at 0 - 20℃; | 65% |
1-iodo-butane
diallyl disulphide
1-((E)-3-Allylsulfanyl-propenylsulfanyl)-butane
Conditions | Yield |
---|---|
With potassium hydroxide In dimethyl sulfoxide at 40℃; for 2h; | 61.2% |
Conditions | Yield |
---|---|
With bromine In tetrahydrofuran; dichloromethane; benzene | 61% |
Conditions | Yield |
---|---|
With triethylamine In methanol at 40℃; for 24h; Solvent; | 61% |
diallyl disulphide
Conditions | Yield |
---|---|
With pyridine; triphenylphosphine at 20℃; for 24h; | 58% |
Molecular Structure of Allyl disulfide (CAS NO.2179-57-9):
IUPAC Name: 3-(Prop-2-enyldisulfanyl)prop-1-ene
Molecular Formula: C6H10S2
Molecular Weight: 146.26
XLogP3-AA: 2.2
EINECS: 218-548-6
FEMA: 2028
storage temp.: 2-8 °C
Index of Refraction: 1.534
Molar Refractivity: 45.29 cm3
Molar Volume: 145.7 cm3
Surface Tension: 33.3 dyne/cm
Density: 1.003 g/cm3
Flash Point: 42.4 °C
Enthalpy of Vaporization: 40.4 kJ/mol
Boiling Point: 185 °C at 760 mmHg
Vapour Pressure: 0.976 mmHg at 25 °C
Product Categories: sulfide Flavor
Appearance: clear yellow liquid
Classification Code: Anticarcinogenic agents; Antihypertensive agents; Antimutagenic agents; Antineoplastic agents; Antispermatogenic Agents; Cardiovascular Agents; Contraceptive Agents; Contraceptive Agents, Female; Mutation data; Noxae; Protective Agents; Reproductive Control Agents; Spermatocidal agents
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 3600mg/kg (3600mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 297, 1988. | |
rat | LD50 | oral | 260mg/kg (260mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 297, 1988. |
Reported in EPA TSCA Inventory.
Safety Information of Allyl disulfide (CAS NO.2179-57-9):
Hazard Codes: Xn,Xi
Risk Statements: 22-36/37/38-10
R10:Flammable.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-37/39-16-36
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
RTECS: BB1000000
F: 13
HazardClass: 6.1
PackingGroup: II
Poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits toxic vapors of SOx.
Allyl disulfide (CAS NO.2179-57-9), its Synonyms are 2-Propenyl disulfide ; 2-Propenyl disulphide ; 4,5-Dithia-1,7-octadiene ; Di(2-propenyl) disulfide ; Diallyl disulfide ; Diallyl disulphide ; Disulfide, di-2-propenyl ; Disulfide, di-2-propen-1-yl .
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