propene
A
2-chloropropene
B
1,2-Dichloropropane
C
E/Z-1,3-Dichloropropene
D
isopropyl chloride
E
propenyl chloride
F
3-chloroprop-1-ene
Conditions | Yield |
---|---|
With aluminum oxide; copper dichloride; dibenzoyl peroxide at 489.9℃; for 0.000555556h; Product distribution; Mechanism; also other temperatures (503 K - 753 K) and initiators (chloral dioxyperoxide); | A 0.7% B 3.3% C 0.8% D 1.8% E 0.9% F 91.4% |
Conditions | Yield |
---|---|
With phosphorus pentoxide | |
With phosphorus pentaoxide | |
With trichlorophosphate | |
at 350℃; Reagent/catalyst; Temperature; Inert atmosphere; | |
at 350℃; Reagent/catalyst; Temperature; Inert atmosphere; |
Conditions | Yield |
---|---|
With hydrogenchloride at 100℃; |
Conditions | Yield |
---|---|
With chlorine at 510℃; technische Darstellung; | |
With chlorine at 510℃; technische Darstellung; |
Conditions | Yield |
---|---|
With hydrogenchloride; mercury dichloride In acetic acid |
phosphorus pentachloride
acrolein
A
E/Z-1,3-Dichloropropene
B
3,3-dichloropropene
phosphorus pentachloride
acrolein
A
E/Z-1,3-Dichloropropene
B
1,1,3-trichloropropane
C
3,3-dichloropropene
Conditions | Yield |
---|---|
at 100℃; |
Conditions | Yield |
---|---|
Isomerisierung; |
1,3-Dichloro-2-propanol
trichlorophosphate
E/Z-1,3-Dichloropropene
E/Z-1,3-Dichloropropene
Conditions | Yield |
---|---|
at 240 - 250℃; |
E/Z-1,3-Dichloropropene
Conditions | Yield |
---|---|
With trichlorophosphate | |
With phosphorus pentoxide |
Conditions | Yield |
---|---|
With phosphorus pentachloride |
benzenesulfonic acid-(β,β'-dichloro-isopropyl ester)
A
hydrogenchloride
B
E/Z-1,3-Dichloropropene
C
benzenesulfonic acid
Conditions | Yield |
---|---|
at 240 - 250℃; |
propene
A
2,3-Dichloroprop-1-ene
B
1,2-Dichloropropane
C
E/Z-1,3-Dichloropropene
D
chlorobenzene
Conditions | Yield |
---|---|
With hydrogenchloride; air; fly ash at 349 - 548℃; for 0.000277778h; oxychlorination; Further byproducts given; |
Conditions | Yield |
---|---|
at 420℃; under 14206.3 Torr; Product distribution / selectivity; |
E/Z-1,3-Dichloropropene
1-(tert-butyloxycarbonyl)-5-[(tert-butyloxycarbonyl)amino]-7-(benzyloxy)-4-iodoindole
7-benzyloxy-5-[tert-butoxycarbonyl-(3-chloro-allyl)-amino]-4-iodo-indole-1-carboxylic acid tert-butyl ester
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 25℃; for 1h; Alkylation; | 100% |
E/Z-1,3-Dichloropropene
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 2h; | 100% |
tert-butyl (1-bromonaphthalen-2-yl)carbamate
E/Z-1,3-Dichloropropene
tert-butyl N-(1-bromo-2-naphthyl)-N-(3-chloroprop-2-enyl)carbamate
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 70 - 80℃; for 4h; Reagent/catalyst; Solvent; | 100% |
Stage #1: tert-butyl (1-bromonaphthalen-2-yl)carbamate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.5h; Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 20℃; for 4h; | 97% |
Stage #1: tert-butyl (1-bromonaphthalen-2-yl)carbamate With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 0.5h; Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide at 0 - 20℃; for 4h; | 97% |
ethyl 4-(benzyloxy)-7-iodo-1H-indole-2-carboxylate
E/Z-1,3-Dichloropropene
ethyl 4-(benzyloxy)-1-(3-chloroallyl)-7-iodo-1H-indole-2-carboxylate
Conditions | Yield |
---|---|
With potassium carbonate; sodium iodide In N,N-dimethyl-formamide at 50℃; for 19h; | 100% |
E/Z-1,3-Dichloropropene
tert-butyl 1-bromo-7-cyano-2-naphthyl(3-chloro-2-propen-1-yl)carbamate
Conditions | Yield |
---|---|
Stage #1: tert-butyl 1-bromo-7-cyano-2-naphthylcarbamate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 2h; | 100% |
E/Z-1,3-Dichloropropene
4-bromo-5-tert-butoxycarbonylamino-indole-1-carboxylic acid tert-butyl ester
4-bromo-5-[tert-butoxycarbonyl-(3-chloro-allyl)amino]-indole-1-carboxylic acid-tert-butyl ester
Conditions | Yield |
---|---|
Stage #1: 4-bromo-5-tert-butoxycarbonylamino-indole-1-carboxylic acid tert-butyl ester With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.75h; Inert atmosphere; Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil for 3h; Inert atmosphere; | 100% |
Stage #1: 4-bromo-5-tert-butoxycarbonylamino-indole-1-carboxylic acid tert-butyl ester With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.25h; Inert atmosphere; Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; Inert atmosphere; | 64% |
E/Z-1,3-Dichloropropene
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 7h; | 100% |
Conditions | Yield |
---|---|
In chloroform at 60℃; for 12h; | 99.9% |
E/Z-1,3-Dichloropropene
1-benzyloxy-3-(tert-butyloxycarbonyl)amino-4-iodoisoquinoline
3-[N-(tert-butyloxycarbonyl)-N-(3-chloroprop-2-en-1-yl)amino]-1-benzyloxy-4-iodoisoquinoline
Conditions | Yield |
---|---|
Stage #1: 1-benzyloxy-3-(tert-butyloxycarbonyl)amino-4-iodoisoquinoline With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: E/Z-1,3-Dichloropropene With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 25℃; for 3h; | 99% |
With tetra-(n-butyl)ammonium iodide; sodium hydride In N,N-dimethyl-formamide at 0 - 25℃; for 3h; | 99% |
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide; sodium hydride In N,N-dimethyl-formamide at 20℃; | 99% |
Conditions | Yield |
---|---|
With 1-methyl-1H-imidazole; 1-bromo-butane; sodium hydroxide In dichloromethane; acetonitrile at 55 - 70℃; for 1.5h; Reagent/catalyst; Temperature; | 99% |
E/Z-1,3-Dichloropropene
tert-butyl (4-(benzyloxy)-1-iodonaphthalen-2-yl)carbamate
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 25℃; for 1h; | 98% |
E/Z-1,3-Dichloropropene
4-benzyloxy-2-(tert-butyloxycarbonylamino)-1-iodo-5,6,7,8-tetrahydronaphthalene
(4-benzyloxy-1-iodo-5,6,7,8-tetrahydro-naphthalen-2-yl)-(3-chloro-allyl)-carbamic acid tert-butyl ester
Conditions | Yield |
---|---|
Stage #1: 4-benzyloxy-2-(tert-butyloxycarbonylamino)-1-iodo-5,6,7,8-tetrahydronaphthalene With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide at 20℃; for 14h; Further stages.; | 98% |
tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate
E/Z-1,3-Dichloropropene
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 7h; | 97% |
E/Z-1,3-Dichloropropene
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 1h; | 97% |
tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthylcarbamate
E/Z-1,3-Dichloropropene
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 6.5h; | 97% |
tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate
E/Z-1,3-Dichloropropene
tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate
Conditions | Yield |
---|---|
Stage #1: tert-butyl 1-bromo-7-(methylsulfonyl)-2-naphthyl(3-chloro-2-propen-1-yl)carbamate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1h; Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 20℃; for 6h; | 97% |
E/Z-1,3-Dichloropropene
methyl 8-bromo-7-[(tert-butoxycarbonyl)(3-chloro-2-propen-1-yl)amino]-2-naphthoate
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1h; | 97% |
E/Z-1,3-Dichloropropene
N-(tert-Butyloxycarbonyl)-3-iodo-4-(methoxymethoxy)-2-naphthylamine
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide; sodium hydride In N,N-dimethyl-formamide at 25℃; | 96% |
E/Z-1,3-Dichloropropene
[N-(tert-butyloxycarbonyl)amino]-2,4-dimethoxy-6-iodo-5-(methoxymethoxy)-3-methylbenzene
[N-(tert-butyloxycarbonyl)-N-(3-chloro-2-propen-1-yl)amino]-2,4-dimethoxy-6-iodo-5-(methoxymethoxy)-3-methylbenzene
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide; sodium hydride In N,N-dimethyl-formamide at 25℃; | 96% |
E/Z-1,3-Dichloropropene
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 6.5h; | 96% |
E/Z-1,3-Dichloropropene
tert-butyl 1-bromo-6-cyano-2-naphthyl(3-chloro-2-propenyl)carbamate
Conditions | Yield |
---|---|
Stage #1: tert-butyl (1-bromo-6-cyanonaphthalen-2-yl)carbamate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.5h; Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 20℃; for 6h; | 96% |
E/Z-1,3-Dichloropropene
1-(benzyloxy)-4-bromo-3-((tert-butyloxycarbonyl)-amino)phenanthrene
3-[N-(tert-butyloxycarbonyl)-N-(3-chloroprop-2-en-1-yl)amino]-1-(benzyloxy)-4-bromophenanthrene
Conditions | Yield |
---|---|
Stage #1: 1-(benzyloxy)-4-bromo-3-((tert-butyloxycarbonyl)-amino)phenanthrene With tetra-(n-butyl)ammonium iodide; sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.25h; Inert atmosphere; Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 20℃; for 2h; Darkness; | 96% |
E/Z-1,3-Dichloropropene
tert-butyl (4-(benzyloxy)-5-bromo-1-iodonaphthalen-2-yl)carbamate
tert-butyl (4-(benzyloxy)-5-bromo-1-iodonaphthalen-2-yl)-(3-chloroallyl)carbamate
Conditions | Yield |
---|---|
Stage #1: tert-butyl (4-(benzyloxy)-5-bromo-1-iodonaphthalen-2-yl)carbamate With tetra-(n-butyl)ammonium iodide; sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.5h; Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 20℃; for 1h; | 96% |
Conditions | Yield |
---|---|
With sodium hydroxide at 80 - 90℃; Temperature; | 95.5% |
methyl 2-[(tert-butoxycarbonyl)amino]-1-bromo-6-naphthoate
E/Z-1,3-Dichloropropene
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 4.5h; | 95% |
E/Z-1,3-Dichloropropene
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 12h; | 95% |
methyl 2-[(tert-butoxycarbonyl)amino]-1-bromo-6-naphthoate
E/Z-1,3-Dichloropropene
methyl 2-[(tert-butoxycarbonyl)(3-chloro-2-propen-1-yl)amino]-1-bromo-6-naphthoate
Conditions | Yield |
---|---|
Stage #1: methyl 2-[(tert-butoxycarbonyl)amino]-1-bromo-6-naphthoate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.5h; Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 20℃; for 4h; | 95% |
E/Z-1,3-Dichloropropene
tert-butyl 1-bromo-7-[(dibenzylamino)sulfonyl]-2-naphthyl(3-chloro-2-propen-1-yl)carbamate
Conditions | Yield |
---|---|
Stage #1: tert-butyl 1-bromo-7-[(dibenzylamino)sulfonyl]-2-naphthylcarbamate With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; Stage #2: E/Z-1,3-Dichloropropene In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 12h; | 95% |
E/Z-1,3-Dichloropropene
methyl 8-(benzyloxy)-6-(N-(tert-butyloxycarbonyl)amino)-5-iodoquinoline-3-carboxylate
methyl 8-(benzyloxy)-6-[N-(tert-butyloxycarbonyl)-N-(E-3-chloro-2-propenyl)amino]-5-iodoquinoline-3-carboxylate
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 25℃; | 94% |
The 1,3-Dichloropropene is an organic compound with the formula C3H4Cl2. The systematic name of this chemical is (1E)-1,3-dichloroprop-1-ene. With the CAS registry number 542-75-6, it is also named as 1,3-Dichloro-1-propene. The product's categories are Pharmaceutical Raw Materials; Nematicides; Pesticides; Pesticides & Metabolites; Alpha sort;D; DAlphabetic; DIA - DICPesticides & Metabolites; API's; Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks. Besides, it is clear yellowish to brownish liquid, which should be stored in a cool dry and ventilated place. It is used mainly in farming as a pesticide, specifically as a preplant fumigant and nematicide. It widely used in the US and other countries, but in the process of being phased out in the European Union.
Physical properties about 1,3-Dichloropropene are: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 2.01; (4)ACD/BCF (pH 5.5): 19.94; (5)ACD/BCF (pH 7.4): 19.94; (6)ACD/KOC (pH 5.5): 296.5; (7)ACD/KOC (pH 7.4): 296.5; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.456; (10)Molar Refractivity: 25.7 cm3; (11)Molar Volume: 94.4 cm3; (12)Polarizability: 10.18×10-24cm3; (13)Surface Tension: 27.1 dyne/cm; (14)Density: 1.175 g/cm3; (15)Flash Point: 27.8 °C; (16)Enthalpy of Vaporization: 33.28 kJ/mol; (17)Boiling Point: 108.4 °C at 760 mmHg; (18)Vapour Pressure: 30.4 mmHg at 25°C.
Uses of 1,3-Dichloropropene: it can be used to produce trichloro-(3-chloro-allyl)-silane. It will need reagent trichlorosilane. The yield is about 76%.
When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. Itmay cause sensitisation by skin contact and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl[C@H]=CCCl
(2)InChI: InChI=1/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
(3)InChIKey: UOORRWUZONOOLO-OWOJBTEDBJ
(4)Std. InChI: InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
(5)Std. InChIKey: UOORRWUZONOOLO-OWOJBTEDSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LCLo | inhalation | 400ppm/7H (400ppm) | American Industrial Hygiene Association Journal. Vol. 38, Pg. 217, 1977. | |
mouse | LC50 | inhalation | 4650mg/m3/2H (4650mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 48, 1982. | |
mouse | LD50 | oral | 640mg/kg (640mg/kg) | Fundamental and Applied Toxicology. Vol. 8, Pg. 562, 1987. | |
rabbit | LD50 | skin | 504mg/kg (504mg/kg) | Dow Chemical Company Reports. Vol. MSD-405, | |
rat | LCLo | inhalation | 1000ppm/2H (1000ppm) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | American Industrial Hygiene Association Journal. Vol. 38, Pg. 217, 1977. |
rat | LD50 | intraperitoneal | 175mg/kg (175mg/kg) | Toxicologist. Vol. 5, Pg. 2, 1985. | |
rat | LD50 | oral | 470mg/kg (470mg/kg) | Dow Chemical Company Reports. Vol. MSD-405, | |
rat | LD50 | skin | 775mg/kg (775mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C103, 1991. |
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