(Z)-1,3-dichloropropene
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
With bromine In methanol at 25℃; for 1h; Time; Solvent; Reagent/catalyst; Temperature; UV-irradiation; | 43.7% |
3,3-dichloropropene
A
(Z)-1,3-dichloropropene
B
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
With iron(III) chloride |
3-chloroprop-1-ene
A
(Z)-1,3-dichloropropene
B
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
With chlorine at 500℃; |
methanol
1,2,3-trichloropropane
A
2,3-Dichloroprop-1-ene
B
1,2-Dichlor-3-methoxy-propane
C
(Z)-1,3-dichloropropene
D
2-chloro-3-methoxypropene
F
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
With aluminium at 250℃; Product distribution; Mechanism; other temp.; |
chlorine
3-chloroprop-1-ene
A
2,3-Dichloroprop-1-ene
B
(Z)-1,3-dichloropropene
C
3,3-dichloropropene
D
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
at 510℃; nach Vorwaermen auf 100grad; | |
at 510℃; nach Vorwaermen auf 100grad; |
Conditions | Yield |
---|---|
With chlorine at 560℃; |
Trifluoromethylsulfenyl chloride
2-propynyl chloride
A
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
In pentane at -78 - 20℃; Further byproducts given. Title compound not separated from byproducts; |
1,3-Dichloropropane
1-chloro-3-hydroxypropane
A
glycidyl methyl ether
B
1,2-Epoxyhexane
C
2,3-Dichloroprop-1-ene
D
2-chloroallyl alcohol
E
1,2,2-trichloropropane
F
1,2-Dichloropropane
G
(Z)-1,3-dichloropropene
H
1,2,3-trichloro-1-propene
I
(1Z)-1,2,3-trichloroprop-1-ene
J
1,3,3-trichloro-propene
K
1t,3,3-trichloro-propene
L
chlorodibromomethane
M
1,1,2-trichloropropane
N
2,3-Dichloro-1-propanol
O
1,3-Dichloro-2-propanol
P
1,2,3-trichloropropane
Q
3,3-dichloropropene
R
3,3-dichloroallyl chloride
S
acetaldehyde
T
allyl alcohol
U
hydroxy-2-propanone
V
chloroacetone
W
cyclopentanone
X
chlorobenzene
Y
isopropyl alcohol
Z
3-monochloro-1,2-propanediol
[
acrolein
\
epichlorohydrin
]
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
With sodium hydroxide; water at 45 - 62.4℃; under 112.511 - 750.075 Torr; Product distribution / selectivity; |
Conditions | Yield |
---|---|
[Li(tmeda)]2[Fe(C2H4)4] In tetrahydrofuran at -20℃; | 98% |
Stage #1: (E)-1,3-dichloro-prop-1-ene; [Fe(C2H4)4][Li(tmeda)]2 In tetrahydrofuran at -20℃; Stage #2: phenylmagnesium bromide In tetrahydrofuran; diethyl ether at -20℃; Further stages.; | 96% |
(E)-1,3-dichloro-prop-1-ene
(E)-(3-chloroallyl)phosphonic dichloride
Conditions | Yield |
---|---|
With aluminum (III) chloride; phosphorus trichloride at 45℃; Inert atmosphere; | 97% |
N-methyl-1-naphthalenemethylamine
(E)-1,3-dichloro-prop-1-ene
(2E)-3-chloro-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
Conditions | Yield |
---|---|
With potassium carbonate In butanone at 50 - 85℃; for 7h; | 96.5% |
With potassium carbonate; potassium iodide In acetonitrile at 20℃; | 81% |
With potassium carbonate; potassium iodide In acetonitrile at 20℃; | 81% |
With potassium carbonate In acetonitrile at 20℃; for 5h; Reflux; | 80% |
[N-(tert-butyloxycarbonyl)amino]-2,4-dimethoxy-6-iodo-5-(methoxymethoxy)-3-methylbenzene
(E)-1,3-dichloro-prop-1-ene
[N-(tert-butyloxycarbonyl)-N-(3-chloro-2-propen-1-yl)amino]-2,4-dimethoxy-6-iodo-5-(methoxymethoxy)-3-methylbenzene
Conditions | Yield |
---|---|
Stage #1: [N-(tert-butyloxycarbonyl)amino]-2,4-dimethoxy-6-iodo-5-(methoxymethoxy)-3-methylbenzene With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.25h; Metallation; Stage #2: (E)-1,3-dichloro-prop-1-ene In N,N-dimethyl-formamide at 25℃; for 3h; Alkylation; | 96% |
methyl 8-(benzyloxy)-6-(N-(tert-butyloxycarbonyl)amino)-5-iodoquinoline-3-carboxylate
(E)-1,3-dichloro-prop-1-ene
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℃; for 12h; Alkylation; | 94% |
morpholine
(E)-1,3-dichloro-prop-1-ene
1-[(2E)-3-chloroprop-2-en-1-yl]morpholine
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetonitrile at 80℃; for 4h; | 92% |
(E)-1,3-dichloro-prop-1-ene
(E)-3-chloroallyl alcohol
Conditions | Yield |
---|---|
With sodium carbonate In water at 120℃; for 12h; Temperature; Reagent/catalyst; | 91% |
With potassium carbonate In water at 100℃; for 6h; | 69% |
With potassium hydroxide | |
With sodium carbonate | |
With sodium hydroxide; phosphate buffer at 25℃; pH=5.9; Kinetics; Further Variations:; pH-values; |
1-(4-fluorophenyl)methyl-piperazine
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 20℃; for 4.5h; Reflux; | 91% |
ethanamine hydrochloride
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 100℃; for 16h; | 90% |
With potassium carbonate In acetonitrile Heating; Reflux; | 73% |
piperidine
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetonitrile at 80℃; for 4h; | 89% |
With potassium carbonate; potassium iodide In acetonitrile for 6h; Heating; | 87% |
(E)-1,3-dichloro-prop-1-ene
E-3-bromo-1-chloropropene
Conditions | Yield |
---|---|
With sodium bromide In acetonitrile for 24h; Heating / reflux; | 89% |
iminodicarboxylic acid di-tert-butyl ester
(E)-1,3-dichloro-prop-1-ene
N,N-di-t-butoxycarbonyl-3-chloro-prop-2-en-1-amine
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetonitrile for 6h; Heating; | 88% |
acetoacetic acid methyl ester
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
Stage #1: acetoacetic acid methyl ester With lithium diisopropyl amide In tetrahydrofuran at -78 - 0℃; for 1h; Stage #2: (E)-1,3-dichloro-prop-1-ene In tetrahydrofuran at -78 - 20℃; for 18h; | 87% |
1-(1,1-dimethylethyl)-2-methyl 5-[[(1,1-dimethylethoxy)-carbonyl]amino]-4-iodo-7-(phenylmethoxy)indole-1,2-dicarboxylate
(E)-1,3-dichloro-prop-1-ene
1-(1,1-dimethylethyl)-2-methyl 5-[(3-chloro-2-propenyl)-(1,1-dimethylethoxy)carbonylamino]-4-iodo-7-(phenylmethoxy)indole-1,2-dicarboxylate
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 0℃; for 2h; | 86% |
Conditions | Yield |
---|---|
Stage #1: With n-hexyllithium; diisopropylamine In tetrahydrofuran; hexane at -20℃; for 0.5h; Stage #2: Ethyl isovalerate In tetrahydrofuran; hexane at -20℃; for 0.666667h; Stage #3: (E)-1,3-dichloro-prop-1-ene With water; ammonium chloride; sodium iodide more than 3 stages; | 84% |
diethylamine
(E)-1,3-dichloro-prop-1-ene
(2E)-3-chloro-N,N-diethylprop-2-en-1-amine
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetonitrile at 80℃; for 4h; | 84% |
diisopropylamine
(E)-1,3-dichloro-prop-1-ene
[(2E)-3-chloroprop-2-en-1-yl]diisopropylamine
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetonitrile at 80℃; for 4h; | 84% |
diphenylmethylpiperazine
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile at 20℃; for 4.5h; Heating; | 84% |
2-ethoxycarbonyl-1-cyclopentanone
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
With 18-crown-6 ether; potassium carbonate In acetonitrile at 50℃; for 8h; | 84% |
With 18-crown-6 ether; potassium carbonate In acetonitrile at 50℃; for 8h; | 84% |
(E)-1,3-dichloro-prop-1-ene
phosphorous acid trimethyl ester
Conditions | Yield |
---|---|
at 110℃; Arbusov reaction; | 83% |
5-isopropyl-2,2-dimethyl-[1,3]dioxane-4,6-dione
(E)-1,3-dichloro-prop-1-ene
5-(3-chloro-allyl)-5-isopropyl-2,2-dimethyl-[1,3]dioxane-4,6-dione
Conditions | Yield |
---|---|
With potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride In acetonitrile at 50 - 55℃; for 12h; | 82.1% |
dimethyl isopropylmalonate
(E)-1,3-dichloro-prop-1-ene
dimethyl 2-[(2E)-3-chloro-2-propenyl]-2-isopropyl malonate
Conditions | Yield |
---|---|
Stage #1: dimethyl isopropylmalonate With potassium hydroxide; tetrabutylammomium bromide In toluene for 0.166667h; Stage #2: (E)-1,3-dichloro-prop-1-ene In toluene at 30 - 35℃; for 4h; Product distribution / selectivity; | 82% |
In DMF (N,N-dimethyl-formamide); toluene at 90℃; for 2h; | |
Stage #1: dimethyl isopropylmalonate With sodium methylate In methanol; N,N-dimethyl-formamide at 60℃; for 0.5 - 1h; Stage #2: (E)-1,3-dichloro-prop-1-ene In methanol; N,N-dimethyl-formamide at 80℃; for 2.5 - 3h; Product distribution / selectivity; | |
Stage #1: dimethyl isopropylmalonate With sodium methylate In methanol at 95 - 105℃; Heating; Stage #2: (E)-1,3-dichloro-prop-1-ene In sulfolane; toluene at 95 - 105℃; for 2h; Product distribution / selectivity; | |
Stage #1: dimethyl isopropylmalonate With sodium methylate In methanol; toluene at 65 - 95℃; Heating; Stage #2: (E)-1,3-dichloro-prop-1-ene In sulfolane; toluene at 95 - 105℃; for 2h; Product distribution / selectivity; |
benzyl-methyl-amine
(E)-1,3-dichloro-prop-1-ene
(E)-N-benzyl-N-methyl-3-chloroprop-2-ene-1-ylamine
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetonitrile at 20℃; | 81% |
With potassium carbonate; potassium iodide In acetonitrile for 6h; Heating; | 81% |
Conditions | Yield |
---|---|
With potassium carbonate; thiourea In water at 30℃; for 8h; | 81% |
ethyl butyroyl acetate
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
Stage #1: ethyl butyroyl acetate With aluminum oxide; potassium tert-butylate for 1h; Inert atmosphere; Stage #2: (E)-1,3-dichloro-prop-1-ene | 81% |
ethyl acetoacetate
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
Stage #1: ethyl acetoacetate With aluminum oxide; potassium tert-butylate for 1h; Inert atmosphere; Stage #2: (E)-1,3-dichloro-prop-1-ene | 79% |
3-phenyl-propionaldehyde
(E)-1,3-dichloro-prop-1-ene
Conditions | Yield |
---|---|
Stage #1: (E)-1,3-dichloro-prop-1-ene With trichlorosilane; tetrabutylammomium bromide; triethylamine; copper(I) bromide In dichloromethane at 0℃; for 2h; Inert atmosphere; Stage #2: With 2-(tert-butyl)-6-((((1R,2R)-2-(methylamino)cyclohexyl)amino)methyl)phenol; 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 0 - 23℃; for 1h; Inert atmosphere; Stage #3: 3-phenyl-propionaldehyde enantioselective reaction; Further stages; | 78% |
Conditions | Yield |
---|---|
Stage #1: morpholine; (E)-1,3-dichloro-prop-1-ene With copper(l) iodide; PdCl2(PrCN)2 at 20℃; for 0.5h; Inert atmosphere; Stage #2: hex-1-yne at 20℃; for 3h; Sonogashira Cross-Coupling; | 78% |
Stage #1: morpholine; (E)-1,3-dichloro-prop-1-ene at 20℃; for 1h; Stage #2: With copper(l) iodide; PdCl2(PrCN)2 at 20℃; for 0.5h; Inert atmosphere; Stage #3: hex-1-yne With morpholine at 20℃; for 3h; Sonogashira Cross-Coupling; Inert atmosphere; | 78% |
Conditions | Yield |
---|---|
With copper(l) iodide; tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl acetamide at 50℃; stereoselective reaction; | 77% |
Conditions | Yield |
---|---|
Stage #1: diisopropylamine With n-butyllithium In tetrahydrofuran at -15℃; for 0.5h; BuLi was added at -15 °ree;C in hexane over a period of 10 min; Stage #2: Ethyl isovalerate In tetrahydrofuran at -15℃; for 0.0833333h; Stage #3: (E)-1,3-dichloro-prop-1-ene With sodium iodide at 20℃; for 16h; | 76% |
The IUPAC name of trans-1,3-Dichloropropene is (E)-1,3-dichloroprop-1-ene. With the CAS registry number 10061-02-6, it is also named as 1-Propene, 1,3-dichloro-, (E)-. The product's categories are Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); Alpha Sort; DIA - DIC; Volatiles / Semivolatiles. It is colourless liquid with chloroform odor which is stable and incompatible with strong oxidizing agents, aluminium, aluminium alloys, some metal salts and halogens. What's more, trans-1,3-Dichloropropene may be light sensitive. When heated to decomposition it emits toxic fumes of Cl-. Additioanlly, the storage environment should be ventilate, low-temperature and dry.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.94; (6)ACD/BCF (pH 7.4): 19.94; (7)ACD/KOC (pH 5.5): 296.5; (8)ACD/KOC (pH 7.4): 296.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 25.7 cm3; (14)Molar Volume: 94.4 cm3; (15)Polarizability: 10.18×10-24 cm3; (16)Surface Tension: 27.1 dyne/cm; (17)Enthalpy of Vaporization: 33.28 kJ/mol; (18)Vapour Pressure: 30.4 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 109.969006; (21)MonoIsotopic Mass: 109.969006; (22)Heavy Atom Count: 5; (23)Complexity: 31.9.
Uses of trans-1,3-Dichloropropene: It can react with propan-2-one to get 5-chloro-2-methyl-4-penten-2-ol. This reaction needs reagent zinc dust, NH4Cl and solvent H2O at temperature of 25 °C. The yield is 60%.
When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so people should keep it away from sources of ignition. It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. And it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. If you want to contact this product, you must wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) This material and its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule 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
The following are the toxicity data which has been tested.
1. | mmo-sat 20 µg/plate | CNREA8 Cancer Research. 37 (1977),1915. | ||
2. | mma-sat 20 µg/plate | CNREA8 Cancer Research. 37 (1977),1915. | ||
3. | dns-hmn:hla 100 µmol/L | CALEDQ Cancer Letters (Shannon, Ireland). 20 (1983),263. |
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