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CAS No.: | 52314-67-7 |
---|---|
Name: | 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C8H9Cl3O |
Molecular Weight: | 227.518 |
Synonyms: | 2,2-Dimethyl-3-(2,2-dichloroethenyl)cyclopropanecarbonylchloride;2,2-Dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarbonyl chloride;3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl chloride;3-(2,2-Dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarbonyl chloride;3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride; |
EINECS: | 257-840-8 |
Density: | 1.424 g/cm3 |
Boiling Point: | 242.4 °C at 760 mmHg |
Flash Point: | 98.9 °C |
Solubility: | 123.2mg/L at 25℃ |
PSA: | 17.07000 |
LogP: | 3.34300 |
3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
permethric acid chloride
Conditions | Yield |
---|---|
With phosgene; triethylamine at 100℃; for 2h; | 96.1% |
With thionyl chloride Heating; | |
With thionyl chloride Heating; |
(RS)-α-cyano-3-phenoxybenzyl (1RS,3RS;1RS,3SR)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate
permethric acid chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 73.4 percent / 1 M aq. NaOH / tetrahydrofuran / 36 h / Heating 2: SOCl2 / Heating View Scheme |
oxalyl dichloride
3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
permethric acid chloride
3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
permethric acid chloride
Conditions | Yield |
---|---|
With potassium hydroxide; thionyl chloride In ethanol; dichloromethane; water; N,N-dimethyl-formamide |
ethyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate
3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
permethric acid chloride
Conditions | Yield |
---|---|
With potassium hydroxide; thionyl chloride In methanol; benzene |
permethric acid chloride
aniline
Conditions | Yield |
---|---|
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine; potassium carbonate In acetonitrile at 0 - 5℃; for 1h; | 99% |
With 1-methyl-1H-imidazole; N,N,N,N,-tetramethylethylenediamine; potassium carbonate In potassium hydroxide at 20 - 25℃; for 1.5h; pH=11.5; Schotten-Baumann-type reaction; | 98% |
Conditions | Yield |
---|---|
Stage #1: m-phenoxybenzaldehyde-13C6 With sodium tetrahydroborate In d(4)-methanol for 0.0833333h; Stage #2: permethric acid chloride In d(4)-methanol at 60℃; under 2327.23 Torr; for 0.166667h; Microwave irradiation; | 98.1% |
permethric acid chloride
4-Hydroxy-4-(3-phenoxyphenyl)butyronitril
Conditions | Yield |
---|---|
With pyridine In toluene at 25℃; | 98% |
sodium cyanide
permethric acid chloride
Conditions | Yield |
---|---|
In water-d2 at 40℃; under 2068.65 Torr; for 0.133333h; Microwave irradiation; | 97.4% |
permethric acid chloride
sodium cyanide
Conditions | Yield |
---|---|
With tetrabutylammomium bromide In water; toluene at 25℃; for 6h; | 97% |
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The CAS register number of Cyclopropanecarbonylchloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl- is 52314-67-7. It also can be called as 2,2-Dimethyl-3-(2,2-dichloroethenyl)cyclopropanecarbonylchloride and the IUPAC name about this chemical is 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride. The molecular formula about this chemical is C8H9Cl3O and the molecular weight is 227.52.
Physical properties about Cyclopropanecarbonylchloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl- are: (1)ACD/LogP: 3.27; (2)ACD/LogD (pH 5.5): 3.27; (3)ACD/LogD (pH 7.4): 3.27; (4)ACD/BCF (pH 5.5): 181.28; (5)ACD/BCF (pH 7.4): 181.28; (6)ACD/KOC (pH 5.5): 1439.24; (7)ACD/KOC (pH 7.4): 1439.24; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 53.23 cm3; (13)Molar Volume: 159.7 cm3; (14) Polarizability: 21.1x10-24cm3; (15)Surface Tension: 47.2 dyne/cm; (16)Enthalpy of Vaporization: 47.93 kJ/mol; (17)Boiling Point: 242.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0341 mmHg at 25°C.
Uses of Cyclopropanecarbonylchloride, 3-(2,2-dichloroethenyl)-2,2-dimethyl-: it can be used to produce 3-(2,2-dichloro-vinyl)-2,2-dimethyl-cyclopropanecarboxylic acid 1-benzo[1,3]dioxol-5-yl-2,2,2-trichloro-ethyl ester with 1-benzo[1,3]dioxol-5-yl-2,2,2-trichloro-ethanol at temperature of 20 ℃. This reaction will need reagent pyridine and solvent benzene with reaction time of 12 hours. The yield is about 73.9%.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl/C(Cl)=C/C1C(C(Cl)=O)C1(C)C
(2)InChI: InChI=1/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
(3)InChIKey: CHLAOFANYRDCPD-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
(5)Std. InChIKey: CHLAOFANYRDCPD-UHFFFAOYSA-N