Conditions | Yield |
---|---|
With xenon difluoride In dichloromethane at 25℃; | 99% |
With 1-oxa-2-azaspiro[2.5]octane In toluene | 99% |
With polyvinylpolypyrrolidonium tribromide In ethanol at 20℃; for 1.5h; Green chemistry; | 99% |
Conditions | Yield |
---|---|
With nickel(II) chloride hexahydrate; morpholinium morpholine-1-carbodithioate; potassium hydroxide In water; ethylene glycol; N,N-dimethyl-formamide at 130℃; | 96% |
With potassium sulfide; nickel(II) chloride hexahydrate; acetylacetone; potassium hydroxide In water; N,N-dimethyl-formamide at 110℃; for 24h; | 95% |
Conditions | Yield |
---|---|
With indium(III) oxide; ammonia; water; sulfur In ethanol at 60℃; Green chemistry; | 82% |
With copper(l) iodide; tetra(n-butyl)ammonium hydroxide; sulfur In water at 80℃; for 48h; Inert atmosphere; Sealed tube; chemoselective reaction; |
Conditions | Yield |
---|---|
With ozone; acetic acid at 16.84℃; | 26.7% |
Conditions | Yield |
---|---|
With ozone; acetic acid at 16.84℃; | 14% |
2,2'-dithiodibenzoic acid dichloride
2,2'-dithiobenzoic acid
Conditions | Yield |
---|---|
bei laengerem Liegen an feuchter Luft; |
benzo-[b]thiophene-2,3-dione
A
1,2-benzisothiazole-3-carboxamide
B
2,2'-dithiobenzoic acid
Conditions | Yield |
---|---|
With ammonium hydroxide; dihydrogen peroxide |
Conditions | Yield |
---|---|
With sodium ethanolate |
Conditions | Yield |
---|---|
With alkali | |
With ethanol; sodium |
4-chloro-3,5-diiodo-pyridine
ethanol
sodium ethanolate
Thiosalicylic acid
A
4-hydroxy-3,5-diiodopyridine
C
2,2'-dithiobenzoic acid
1-thioflavone
sodium ethanolate
A
2,2'-dithiobenzoic acid
B
1-(2-mercaptophenyl)ethan-1-one
C
Thiosalicylic acid
D
acetophenone
o-Carboxybenzenediazonium
2,2'-dithiobenzoic acid
Conditions | Yield |
---|---|
With sodium disulfide | |
With sodium disulfide |
1-methyl-4-nitrosobenzene
2-[(2-oxo-2-phenylethyl)thio]-benzoic acid
2,2'-dithiobenzoic acid
o-(hydroxysulfinyl)benzoic acid
A
2-sulfobenzoic acid
B
2,2'-dithiobenzoic acid
o-(hydroxysulfinyl)benzoic acid
2,2'-dithiobenzoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; water; tin(ll) chloride |
n-butyllithium
diethyl ether
thiophenol
2,2'-dithiobenzoic acid
Conditions | Yield |
---|---|
anschliessendes Behandeln mit festem CO2; |
(Z)-2-bromo-1,3-diphenylprop-2-en-1-one
Thiosalicylic acid
A
2,2'-dithiobenzoic acid
Conditions | Yield |
---|---|
With ethanol; sodium carbonate; acetone |
Thiosalicylic acid
Bromoacetaldehyde diethyl acetal
A
2,2'-dithiobenzoic acid
Conditions | Yield |
---|---|
With ethanol; sodium acetate |
n-butyllithium
diethyl ether
diphenyldisulfane
A
(n-butylthio)benzene
B
2,2'-dithiobenzoic acid
Conditions | Yield |
---|---|
anschliessendes Behandeln mit festem CO2; |
Conditions | Yield |
---|---|
With sodium hydroxide; copper |
benzo[d]-1,3-oxathiin-4-one 1-oxide
A
formaldehyd
B
2,2'-dithiobenzoic acid
Conditions | Yield |
---|---|
In dimethylsulfoxide-d6 at 110℃; for 10h; |
Conditions | Yield |
---|---|
With n-butyllithium 1.) hexane, r.t., overnight, 2.) r.t.; Yield given. Multistep reaction; |
ortho-chlorobenzoic acid
A
2,2'-dithiobenzoic acid
B
Thiosalicylic acid
C
benzoic acid
D
salicylic acid
Conditions | Yield |
---|---|
With sulfur In melt at 270℃; Product distribution; effect of various molten salts, amount of sulfur, molar ratio of sulfur to molten salts, composition of molten salt and various mercaptylation agents; |
carbon dioxide
Ethyl phenyl sulfide
Dipropyl disulfide
2,2'-dithiobenzoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; n-butyllithium Yield given. Multistep reaction; |
Conditions | Yield |
---|---|
With triethylamine for 18h; | 100% |
Stage #1: 2,2'-dithiobenzoic acid With thionyl chloride for 2h; Reflux; Stage #2: methanol With triethylamine for 2h; Reflux; | 92% |
With sulfuric acid for 24h; Reflux; | 91% |
Conditions | Yield |
---|---|
99.5% | |
With sulfuric acid at 10 - 40℃; for 4 - 5h; | 73.8% |
With sulfuric acid at -5 - 50℃; for 58h; | 53.8% |
With sulfuric acid at -5 - 50℃; for 58h; | |
With sulfuric acid at 20℃; for 2h; |
2,2'-dithiobenzoic acid
4-chloro-phenol
1-chloro-4-hydroxy-9H-thioxanthen-9-one
Conditions | Yield |
---|---|
With sulfuric acid at -5 - 70℃; for 21h; | 99% |
Stage #1: 2,2'-dithiobenzoic acid With sulfuric acid In water for 0.5h; Stage #2: 4-chloro-phenol In water at 40 - 100℃; for 5h; | 77.9% |
In sulfuric acid | 69.7% |
Conditions | Yield |
---|---|
With chlorine; sulfur In 1,1,2,2-tetrachloroethylene at 70℃; Temperature; Solvent; | 99% |
Stage #1: 2,2'-dithiobenzoic acid With thionyl chloride; 1-methyl-pyrrolidin-2-one at 80℃; Heating / reflux; Stage #2: With sulfuryl dichloride at 50℃; for 0.5h; | 93% |
With thionyl chloride; chlorine; N,N-dimethyl-formamide 1.) 1,2-dichloroethane, reflux, 1 h, 2.) 10 deg C, 20 min; Multistep reaction; |
Isopropylbenzene
2,2'-dithiobenzoic acid
2-isopropyl-9H-thioxanthen-9-one
Conditions | Yield |
---|---|
With sulfuric acid at 20℃; for 0.5h; | 99% |
With methanesulfonic acid; zinc In chlorobenzene at 115℃; | 89.5% |
2,2'-dithiobenzoic acid
2,2'-dithiodibenzoic acid dichloride
Conditions | Yield |
---|---|
With thionyl chloride In N,N-dimethyl-formamide; toluene at 82℃; for 20h; | 97% |
With thionyl chloride In N,N-dimethyl-formamide for 4h; Reflux; | 95% |
With thionyl chloride; N,N-dimethyl-formamide In toluene at 82℃; for 20h; | 91.3% |
Conditions | Yield |
---|---|
With sodium hydroxide In water; isopropyl alcohol at 130℃; for 48h; Reagent/catalyst; Solvent; Temperature; Green chemistry; | 95% |
Stage #1: 2,2'-dithiobenzoic acid With ammonium peroxydisulfate In methanol at 70℃; for 3h; Stage #2: indole In methanol at 20 - 70℃; | 46% |
Conditions | Yield |
---|---|
With tetraphosphorus decasulfide In 1,4-dioxane for 48h; Inert atmosphere; Reflux; | 93% |
With phosphorous (V) sulfide; xylene | |
With Lawessons reagent In benzene Heating; Yield given; | |
With tetraphosphorus decasulfide In pyridine for 1h; Heating; | |
With pyridine; tetraphosphorus decasulfide |
2,2'-dithiobenzoic acid
Conditions | Yield |
---|---|
With dihydrogen peroxide In neat (no solvent) at 20℃; for 0.5h; Reagent/catalyst; chemoselective reaction; | 92% |
With dihydrogen peroxide In neat (no solvent) at 20℃; for 0.5h; Reagent/catalyst; Green chemistry; | 92% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 90 - 95℃; for 5h; Substitution; | 91% |
Conditions | Yield |
---|---|
With sodium hydroxide In water; isopropyl alcohol at 130℃; Green chemistry; | 91% |
m-diethylbenzene
2,2'-dithiobenzoic acid
2,4‐diethyl‐9H‐thioxanthene‐9‐one
Conditions | Yield |
---|---|
With sulfuric acid at 0 - 65℃; for 6h; Reagent/catalyst; | 90.2% |
With aluminum oxide; iron; toluene-4-sulfonic acid at 130℃; Reagent/catalyst; | 89% |
1-hydroxy-pyrrolidine-2,5-dione
2,2'-dithiobenzoic acid
N,N'-disuccinimidyl-2,2'-dithiosalicylate
Conditions | Yield |
---|---|
With diisopropyl-carbodiimide In tetrahydrofuran; isopropyl alcohol at 20℃; for 4h; | 89% |
With diisopropyl-carbodiimide In tetrahydrofuran; isopropyl alcohol at 25℃; for 4h; | 89% |
With diisopropyl-carbodiimide In tetrahydrofuran; isopropyl alcohol at 25℃; |
Conditions | Yield |
---|---|
With sodium hydroxide In water; isopropyl alcohol at 130℃; Green chemistry; | 89% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 90 - 95℃; for 5h; Substitution; | 87% |
Conditions | Yield |
---|---|
With sodium hydroxide In water; isopropyl alcohol at 130℃; Green chemistry; | 86% |
Conditions | Yield |
---|---|
With hydrogenchloride; hydrogen iodide; hypophosphorous acid for 3h; Heating; | 85% |
With hydrogenchloride; diphenylphosphinopolystyrene In tetrahydrofuran for 7h; Heating; | 73% |
With tin; acetic acid weiteres Reagens: konz. Salzsaeure; |
Conditions | Yield |
---|---|
In ethanol at 20℃; for 336000h; | 85% |
Conditions | Yield |
---|---|
With sodium hydroxide In water; isopropyl alcohol at 130℃; Green chemistry; | 85% |
1,10-Phenanthroline
2,2'-dithiobenzoic acid
N,N-dimethyl-formamide
Conditions | Yield |
---|---|
With sodium hydroxide In water at 20℃; pH=7.2; | A 85% B 15% |
Conditions | Yield |
---|---|
With dmap; benzotriazol-1-ol; dicyclohexyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃; for 3h; | 83% |
Conditions | Yield |
---|---|
With sodium hydroxide In water; isopropyl alcohol at 130℃; Green chemistry; | 83% |
2,2'-dithiobenzoic acid
A
2,2'-dithiodibenzoic acid dichloride
Conditions | Yield |
---|---|
With thionyl chloride In n-heptane | A 80% B n/a |
2,2'-dithiobenzoic acid
Conditions | Yield |
---|---|
With N(CH2CH3)3 In water High Pressure; heating mixt. of gadolinium compd., copper compd., benzoic acid deriv., deionized water and triethylamine at 170°C for 72 h; cooling to room temp. at rate of 5°C/h, isolation of crystals, washing deionized water, elem. anal.; | 80% |
2,2'-dithiobenzoic acid
2-phenoxyacetic acid
2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
Conditions | Yield |
---|---|
With sulfuric acid at 0 - 25℃; for 1h; | 76% |
2,2'-dithiobenzoic acid
methyl 2-aminopropanoate monohydrochloride
Conditions | Yield |
---|---|
Stage #1: 2,2'-dithiobenzoic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 0.666667h; Reflux; Stage #2: methyl 2-aminopropanoate monohydrochloride With triethylamine In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 48h; | 76% |
2,2'-dithiobenzoic acid
1,2-bis(2-(hydroxymethyl)phenyl)disulfane
Conditions | Yield |
---|---|
With borane-THF; boron trifluoride diethyl etherate In tetrahydrofuran at 20℃; for 18h; | 75% |
With sodium bis(2-methoxyethoxy)aluminium dihydride In benzene |
Molecule structure of 2,2'-Dithiodibenzoic acid (CAS NO.119-80-2):
IUPAC Name: 2-(2-Carboxyphenyl)disulfanylbenzoic acid
Molecular Weight: 306.3568 g/mol
Molecular Formula: C14H10O4S2
Density: 1.53 g/cm3
Melting Point: 287-290 °C(lit.)
Boiling Point: 493.1 °C at 760 mmHg
Flash Point: 252 °C
Index of Refraction: 1.735
Molar Refractivity: 80.04 cm3
Molar Volume: 199.3 cm3
Polarizability: 31.73×10-24 cm3
Surface Tension: 83.8 dyne/cm
Enthalpy of Vaporization: 80.06 kJ/mol
Vapour Pressure: 1.54E-10 mmHg at 25 °C
Water Solubility: insoluble
XLogP3-AA: 3.1
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Exact Mass: 306.00205
MonoIsotopic Mass: 306.00205
Topological Polar Surface Area: 74.6
Heavy Atom Count: 20
Complexity: 327
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O
InChI: InChI=1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey: LBEMXJWGHIEXRA-UHFFFAOYSA-N
EINECS: 204-352-8
Product Categories: pharmacetical; organic acids
2,2'-Dithiodibenzoic acid (CAS NO.119-80-2) is used for intermediates of medicine, dyes, fungicides, and photoinitiators.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 367mg/kg (367mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 284, 1971. |
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: DG9660000
Hazard Note: Harmful / irritant
2,2'-Dithiodibenzoic acid (CAS NO.119-80-2) is also named as 2,2'-Dithiobis(benzoic acid) ; 2,2'-Dithiodibenzoesaeure ; 2,2'-Dithiodibenzoesaeure [German] ; 4-10-00-00279 (Beilstein Handbook Reference) ; AI3-15534 ; BRN 2221810 ; Bis(2-carboxyphenyl) disulfide ; Bis(o-carboxylphenyl) disulfide ; Bis(o-carboxyphenyl) disulfide ; Diphenyldisulfide-2,2'-dicarboxylic acid . 2,2'-Dithiodibenzoic acid is brown powder. 2,2'-Dithiodibenzoic acid is high toxic. It is flammable. It will produce toxic sulfur oxides fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep 2,2'-Dithiodibenzoic acid separate from raw materials of food.
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