Conditions | Yield |
---|---|
With 2,6-di-tert-butyl-4-methyl-phenol; copper dichloride In tetrahydrofuran at 20℃; for 6h; | 75% |
Conditions | Yield |
---|---|
Stage #1: carbon disulfide; 2,4-Dichloroaniline In acetone at 20℃; Stage #2: With iron(II) sulfate; triethylamine In acetone chemoselective reaction; | 79% |
Stage #1: carbon disulfide; 2,4-Dichloroaniline With 1,4-diaza-bicyclo[2.2.2]octane In toluene at 20℃; for 8h; Stage #2: With bis(trichloromethyl) carbonate In dichloromethane at -5℃; Reflux; | 60% |
Stage #1: carbon disulfide; 2,4-Dichloroaniline With 1,4-diaza-bicyclo[2.2.2]octane In toluene Stage #2: With benzene-1,3,5-tricarboxylic acid In chloroform |
C7H5Cl2NS2
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With benzene-1,3,5-tricarboxylic acid In dichloromethane | |
With bis(trichloromethyl) carbonate In dichloromethane | |
With bis(trichloromethyl) carbonate In dichloromethane at -5℃; for 8h; Reflux; | |
With bis(trichloromethyl) carbonate In dichloromethane | |
With bis(trichloromethyl) carbonate In dichloromethane at 20℃; for 2h; Cooling with ice; |
Conditions | Yield |
---|---|
Stage #1: 2,4-Dichloroaniline With sodium carbonate In chloroform Cooling with ice; Stage #2: thiophosgene In chloroform for 2h; Cooling with ice; | 99% |
With chloroform Verruehren einer waessr. Suspension; | |
In chloroform at 20℃; for 2h; |
o-phenyl (2,4-dichlorophenyl)carbamothioate
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With sodium hydroxide In dichloromethane at 20℃; for 1h; | 99% |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1,4-diaza-bicyclo[2.2.2]octane / toluene 2: benzene-1,3,5-tricarboxylic acid / dichloromethane View Scheme | |
Multi-step reaction with 2 steps 1: 1,4-diaza-bicyclo[2.2.2]octane / toluene 2: bis(trichloromethyl) carbonate / dichloromethane View Scheme | |
Multi-step reaction with 2 steps 1: tetrahydrofuran / Reflux 2: sodium hydroxide / dichloromethane / 1 h / 20 °C View Scheme |
2,4-Dichloroaniline
phenylcarbonochloridothioate
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With sodium hydroxide In dichloromethane at 0 - 20℃; for 73h; | 21% |
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
With sulfuric acid Destillieren mit Wasserdampf; |
sulfuric acid
N-(2,4-dichlorophenyl)-N'-phenylthiourea
A
phenyl isothiocyanate
B
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
Destillieren des Gemisches mit Wasserdampf; |
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
Stage #1: methyl 2-((1s,4s)-4-(5-(2-hydrazinyl-2-oxoacetamido)pyridin-2-yloxy)cyclohexyl)acetate; 2, 4-dichlorophenyl isothiocyanate In N,N-dimethyl-formamide at 45℃; for 1.5h; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 85℃; for 0.75h; | 100% |
2, 4-dichlorophenyl isothiocyanate
ethyl 4-(5-((5-((2,4-dichlorophenyl)amino)1,3,4-oxadiazole-2-carbonyl)amino)pyridin-2-yl)oxy-1-methylcyclohexane-1-carboxylate
Conditions | Yield |
---|---|
Stage #1: (1s,4s)-ethyl 4-(5-(2-hydrazinyl-2-oxoacetamido)pyridin-2-yloxy)methylcyclohexanecarboxylate; 2, 4-dichlorophenyl isothiocyanate In N,N-dimethyl-formamide at 40℃; for 0.416667h; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide for 1.41667h; | 100% |
Conditions | Yield |
---|---|
With ammonia In 1,2-dimethoxyethane | 99% |
With ethanol; ammonia | |
With ethanol; ammonia |
2, 4-dichlorophenyl isothiocyanate
ethyl-2-aminocyano acetate
Conditions | Yield |
---|---|
In 1,4-dioxane | 99% |
4-amino-1-phenylpyrazole-3-carbonitrile
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; | 98% |
potassium cyanide
2, 4-dichlorophenyl isothiocyanate
N-(2,4-dichlorophenyl)cyanothioformamide
Conditions | Yield |
---|---|
Stage #1: potassium cyanide; 2, 4-dichlorophenyl isothiocyanate In water; acetonitrile at 0 - 20℃; for 4h; Stage #2: With hydrogenchloride; water In acetic acid at 0℃; | 97% |
3-chloropentane-2,4-dione
2, 4-dichlorophenyl isothiocyanate
N,N,N',N'-tetramethylguanidine
1-[2-(2,4-dichlorophenylimino)-3-di(dimethylamino)methyl-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]-1-ethanone chloride
Conditions | Yield |
---|---|
Stage #1: 2, 4-dichlorophenyl isothiocyanate; N,N,N',N'-tetramethylguanidine In acetone at 20℃; for 0.5h; Stage #2: 3-chloropentane-2,4-dione In acetone at 20℃; | 97% |
aminoethylpiperazine
2, 4-dichlorophenyl isothiocyanate
4-{2-[3-(2,4-Dichloro-phenyl)-thioureido]-ethyl}-piperazine-1-carbothioic acid (2,4-dichloro-phenyl)-amide
Conditions | Yield |
---|---|
In ethanol for 4h; Heating; | 95% |
cyclohexanecarbohydrazide
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
70 In ethanol for 0.5h; Heating; | 94% |
adamantane-1-carbohydrazide
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In ethanol for 0.5h; Heating; | 94% |
butyl (2E)-3-(2-amino-5-methylphenyl)acrylate
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In water at 80℃; for 16h; Inert atmosphere; | 94% |
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; | 94% |
naphthalen-1-yl-acetic acid hydrazide
2, 4-dichlorophenyl isothiocyanate
C19H15Cl2N3OS
Conditions | Yield |
---|---|
In ethanol for 1h; Heating; | 93% |
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In water at 80℃; for 16h; Inert atmosphere; | 93% |
Conditions | Yield |
---|---|
With iron(II,III) oxide; methylamine In water for 1h; Reflux; | 92% |
Conditions | Yield |
---|---|
In methanol for 0.5h; Reflux; | 92% |
In methanol Reflux; | 92% |
2, 4-dichlorophenyl isothiocyanate
2-[4-(4-nitrophenyl)piperazin-1-yl]acetohydrazide
4-(2,4-dichlorophenyl)-1-[4-(4-nitrophenyl)piperazineacetyl]thiosemicarbazide
Conditions | Yield |
---|---|
In ethanol for 0.5h; Addition; Heating; | 91% |
Conditions | Yield |
---|---|
at 90℃; for 12h; | 91% |
Conditions | Yield |
---|---|
In methanol for 0.5h; Reflux; | 91% |
In methanol Reflux; | 91% |
Conditions | Yield |
---|---|
In ethanol at 80 - 85℃; | 91% |
2, 4-dichlorophenyl isothiocyanate
N-(4-methoxyphenyl)piperazineacetohydrazide
4-(2,4-dichlorophenyl)-1-[4-(4-methoxyphenyl)piperazineacetyl]semicarbazide
Conditions | Yield |
---|---|
In ethanol for 0.5h; Addition; Heating; | 90% |
4-chlorobenzoic acid hydrazide
2, 4-dichlorophenyl isothiocyanate
1-(4-chlorobenzoyl)-4-(2,4-dichlorophenyl)thiosemicarbazide
Conditions | Yield |
---|---|
In ethanol for 0.25h; Reflux; | 90% |
In ethanol for 0.0833333h; Reflux; | 90% |
Conditions | Yield |
---|---|
70 In ethanol for 0.5h; Heating; | 88% |
4-(4,6-dimethoxypyrimidin-2-yloxy)benzenamine
2, 4-dichlorophenyl isothiocyanate
1-(2,4-dichlorophenyl)-3-(4-(4,6-dimethoxypyrimidin-2-yloxy)phenyl)thiourea
Conditions | Yield |
---|---|
In dichloromethane at 0℃; | 88% |
1-[(4-chlorophenyl)methyl]piperazine
2, 4-dichlorophenyl isothiocyanate
Conditions | Yield |
---|---|
In chloroform | 88% |
2, 4-dichlorophenyl isothiocyanate
[4-(2-methoxyphenyl)piperazin-1-yl]acetohydrazide
4-(2,4-dichlorophenyl)-1-[4-(2-methoxyphenyl)piperazineacetyl]thiosemicarbazide
Conditions | Yield |
---|---|
In ethanol for 0.5h; Addition; Heating; | 87% |
2, 4-dichlorophenyl isothiocyanate
1-phenyl-5-methyl-1,2,3-triazol-4-formyl hydrazide
Conditions | Yield |
---|---|
In ethanol at 20℃; for 5h; | 87% |
2-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine
2, 4-dichlorophenyl isothiocyanate
C17H21Cl2N3OS
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 87% |
The CAS register number of Benzene,2,4-dichloro-1-isothiocyanato- is 6590-96-1. It also can be called as Isothiocyanicacid, 2,4-dichlorophenyl ester (7CI,8CI) and the systematic name about this chemical is 2,4-dichloro-1-isothiocyanatobenzene. The molecular formula about this chemical is C7H3Cl2NS and the molecular weight is 204.08. It belongs to the following product categories which include Organic Building Blocks; Sulfur Compounds; Thiocyanates/Isothiocyanates and so on.
Physical properties about Benzene,2,4-dichloro-1-isothiocyanato- are: (1)ACD/LogP: 4.47; (2)ACD/LogD (pH 5.5): 4.47; (3)ACD/LogD (pH 7.4): 4.47; (4)ACD/BCF (pH 5.5): 1464.37; (5)ACD/BCF (pH 7.4): 1464.37; (6)ACD/KOC (pH 5.5): 6420.54; (7)ACD/KOC (pH 7.4): 6420.54; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 44.45 Å2; (11)Index of Refraction: 1.614; (12)Molar Refractivity: 51.83 cm3; (13)Molar Volume: 148.6 cm3; (14)Polarizability: 20.54x10-24cm3; (15)Surface Tension: 40.9 dyne/cm; (16)Density: 1.37 g/cm3; (17)Flash Point: 128.5 °C; (18)Enthalpy of Vaporization: 50.69 kJ/mol; (19)Boiling Point: 288.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00396 mmHg at 25 °C.
Uses of Benzene,2,4-dichloro-1-isothiocyanato-: it can be used to produce C19H15Cl2N3OS with naphthalen-1-yl-acetic acid hydrazide. This reaction will need reagent of ethanol. This reaction needs heating. The reaction time is 1 hour. The yield is about 93%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It may cause sensitization by inhalation. When you are using it, do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1\N=C=S
(2)InChI: InChI=1/C7H3Cl2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
(3)InChIKey: WVBNZZHGECFCSH-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H3Cl2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
(5)Std. InChIKey: WVBNZZHGECFCSH-UHFFFAOYSA-N
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