2,2,6,6-tetrachlorocyclohexanone
diethyl malonate
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
Stage #1: 2,2,6,6-tetrachlorocyclohexanone; diethyl malonate With 1,8-diazabicyclo[5.4.0]undec-7-ene In 1,2-dichloro-ethane at 60 - 65℃; for 3h; Stage #2: With sodium hydroxide In 1,2-dichloro-ethane at 20 - 65℃; for 3h; Solvent; Temperature; Reagent/catalyst; | 96.6% |
ethyl 2-(2,6-dichlorophenyl)acetate
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With water; sodium hydroxide In 1,4-dioxane at 60℃; for 2h; pH=10 - 14; | 95% |
carbon monoxide
1,3-Dichloro-2-chloromethyl-benzene
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; tetraethylammonium chloride; sodium hydroxide In 5,5-dimethyl-1,3-cyclohexadiene at 80℃; under 11251.1 Torr; for 20h; Autoclave; regioselective reaction; | 93% |
Conditions | Yield |
---|---|
Stage #1: 2,6-dichlorophenylacetonitrile With potassium hydroxide; water In ethanol at 80℃; for 20h; Stage #2: With hydrogenchloride In ethanol pH=3; | 83% |
With sodium hydroxide | |
With potassium hydroxide In ethylene glycol |
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
Einleiten von Kohlendioxid; |
Conditions | Yield |
---|---|
Stage #1: 2,6-dichlorotoluene With lithium diisopropyl amide In tetrahydrofuran; cyclohexane at -75℃; for 0.75h; Stage #2: carbon dioxide In tetrahydrofuran; cyclohexane |
carbon dioxide
2,6-dichlorotoluene
A
2-(2,6-dichlorophenyl)acetic acid
B
3,5-dichloro-4-methylbenzoic acid
C
2,4-Dichloro-3-methyl-benzoic acid
Conditions | Yield |
---|---|
Stage #1: 2,6-dichlorotoluene With sec.-butyllithium In tetrahydrofuran; cyclohexane at -75℃; for 0.75h; Stage #2: carbon dioxide In tetrahydrofuran; cyclohexane Title compound not separated from byproducts; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dimethylsulfoxide / 5 h / 40 - 50 °C 2: 25 percent NaOH / ethanol / Heating View Scheme | |
Multi-step reaction with 2 steps 2: aqueous NaOH View Scheme | |
Multi-step reaction with 2 steps 2: H2SO4 View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dichloro[4,5-bis(diphenylphosphino)-9,9’-dimethylxanthene]palladium(II); di-tert-butyl peroxide / 16 h / 120 °C / 7600.51 Torr 2: water; sodium hydroxide / 1,4-dioxane / 2 h / 60 °C / pH 10 - 14 View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium nitrite; sulfuric acid; copper(I) bromide; tetrabutylammomium bromide / water / 2 h / -5 - 95 °C 2: hydrogenchloride / 10 h / 80 - 95 °C / Inert atmosphere View Scheme |
1-(2,2,2-trichloroethyl)-2,6-dichlorobenzene
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With hydrogenchloride at 80 - 95℃; for 10h; Inert atmosphere; | 115.3 g |
2-(2,6-dichlorophenyl)acetic acid
2,6-dichlorophenylacetylchloride
Conditions | Yield |
---|---|
With thionyl chloride In toluene at 20℃; for 12h; | 100% |
With thionyl chloride at 80℃; for 1h; | 90% |
With thionyl chloride |
thionyl chloride
2-(2,6-dichlorophenyl)acetic acid
1-bromo-3-(2,6-dichlorophenyl)propan-2-one
Conditions | Yield |
---|---|
Stage #1: thionyl chloride; 2-(2,6-dichlorophenyl)acetic acid With diazomethyl-trimethyl-silane Stage #2: With hydrogen bromide In water | 100% |
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With borane-d3 In tetrahydrofuran at 0 - 20℃; for 20h; | 99% |
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; 1,1'-carbonyldiimidazole In tetrahydrofuran | 98% |
Stage #1: 2-(2,6-dichlorophenyl)acetic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran at 25℃; for 1h; Stage #2: 4-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-methyl-butan-2-ol In tetrahydrofuran at 45℃; for 24h; Reagent/catalyst; | 376 g |
Stage #1: 2-(2,6-dichlorophenyl)acetic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran at 25℃; for 1h; Stage #2: 4-[(1S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-methyl-butan-2-ol In tetrahydrofuran at 25 - 45℃; for 24h; | 376 g |
With N-ethyl-N,N-diisopropylamine; 1,1'-carbonyldiimidazole In tetrahydrofuran at 40℃; for 72h; Inert atmosphere; | 250 mg |
2-(2,6-dichlorophenyl)acetic acid
2-(2,6-dichlorophenyl)ethan-1-ol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In diethyl ether for 12h; Heating; | 97% |
With lithium aluminium tetrahydride In diethyl ether for 16h; Heating / reflux; | 85% |
With borane In tetrahydrofuran at 0 - 20℃; Inert atmosphere; | 73% |
With lithium aluminium tetrahydride In diethyl ether | |
With borane In tetrahydrofuran |
endo-N-hydroxy-5-norbornene-2,3-dicarboxyimide
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide | 97% |
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With deuteriated sodium hydroxide; tetrabutylammomium bromide In water-d2 at 105℃; for 40h; | 97% |
methanol
2-(2,6-dichlorophenyl)acetic acid
methyl 2-(2,6-dichlorophenyl)acetate
Conditions | Yield |
---|---|
With sulfuric acid | 96% |
With hydrogenchloride Reflux; | 92% |
With thionyl chloride at 0℃; Reflux; | 10 g |
With sulfuric acid for 8h; Reflux; |
2-(2,6-dichlorophenyl)acetic acid
ethyl 4-(piperazin-1-yl)benzoate
C21H22Cl2N2O3
Conditions | Yield |
---|---|
With diethyl cyanophosphonate; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; | 95% |
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
Stage #1: 2-(2,6-dichlorophenyl)acetic acid; (1S,3R)-5-bromo-3-(((tertbutyldiphenylsilyl) oxy)methyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline With trimethylamine In acetonitrile for 0.0833333h; Stage #2: With propylphosphonic anhydride In ethyl acetate; acetonitrile at 5 - 20℃; for 1.25h; | 93% |
2-(2,6-dichlorophenyl)acetic acid
2-(2,6-dichlorophenyl)acetohydrazide
Conditions | Yield |
---|---|
With 1,1'-carbonyldiimidazole; hydrazine In tetrahydrofuran | 92% |
With 1,1'-carbonyldiimidazole; hydrazine In tetrahydrofuran | 92% |
Stage #1: 2-(2,6-dichlorophenyl)acetic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran Stage #2: With hydrazine In tetrahydrofuran Further stages.; |
2-(2,6-dichlorophenyl)acetic acid
1,2-diamino-benzene
2-(2,6-dichlorobenzyl)-1H-benzo[d]imidazole
Conditions | Yield |
---|---|
With polyphosphoric acid at 175℃; for 4h; Inert atmosphere; | 92% |
With polyphosphoric acid for 4h; Inert atmosphere; Heating; | 92% |
2-(2,6-dichlorophenyl)acetic acid
4-Chloro-1,2-phenylenediamine
5-chloro-2-(2,6-dichlorobenzyl)-1H-benzo[d]imidazole
Conditions | Yield |
---|---|
With polyphosphoric acid for 4h; Inert atmosphere; Heating; | 92% |
Conditions | Yield |
---|---|
With 1H-imidazole; C17H16ClMnN2O2; tetrabutylammonium periodite In chloroform at 20℃; for 0.666667h; | 90% |
With 1H-imidazole; [bis(acetoxy)iodo]benzene; Co(AAOPD) In acetonitrile at 20℃; for 6.33333h; | 89% |
With mercury(II) fluoride; oxygen In acetonitrile at 25℃; for 24h; Irradiation; | 76% |
With oxygen; mercury(II) oxide In methanol; acetonitrile at 25℃; UV-irradiation; | 64% |
With dihydrogen peroxide In water; acetonitrile at 25℃; for 10h; UV-irradiation; | 12.5 %Chromat. |
2-(2,6-dichlorophenyl)acetic acid
2,6-Dichlorobenzyl bromide
Conditions | Yield |
---|---|
With silver triflate-bis(1,10-phenanthroline) complex; dibromoisocyanuric acid In 1,2-dichloro-ethane at 20℃; for 22h; Inert atmosphere; Schlenk technique; | 88% |
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine In dichloromethane at 20℃; | 86% |
Conditions | Yield |
---|---|
With tert-butylhypochlorite; silver triflate-bis(1,10-phenanthroline) complex In acetonitrile at 20℃; for 26h; Inert atmosphere; | 85% |
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
Stage #1: 4-[(1S,3R)-3-(hydroxymethyl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-methyl-butan-2-ol With 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine In acetonitrile at 0℃; for 0.5h; Stage #2: 2-(2,6-dichlorophenyl)acetic acid In acetonitrile at 0℃; for 1h; | 85% |
Stage #1: 2-(2,6-dichlorophenyl)acetic acid With 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine In acetonitrile at 0℃; for 1h; Stage #2: 4-[(1S,3R)-3-(hydroxymethyl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-2-methyl-butan-2-ol With potassium carbonate In water; acetonitrile at 0℃; for 4h; Solvent; | 85% |
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide In tetrahydrofuran; ethyl acetate at 20℃; for 2h; Alkaline conditions; | 85% |
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; HATU In dichloromethane for 2h; | 84% |
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide | 83% |
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide at 20℃; for 3h; | 55% |
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide at 20℃; for 3h; | 4.70 g |
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide at 20℃; for 3h; | 4.7 g |
2-(2,6-dichlorophenyl)acetic acid
2-(3,4-dimethoxyphenyl)-ethylamine
2-(2,6-dichloro-phenyl)-N-[2-(3,4-dimethoxy-phenyl)-ethyl]-acetamide
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile for 6h; Condensation; Heating; | 82% |
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 16h; Inert atmosphere; | 81% |
2-(2,6-dichlorophenyl)acetic acid
benzylamine
1-benzyl-4-chloro-1,3-dihydroindol-2-one
Conditions | Yield |
---|---|
Stage #1: 2-(2,6-dichlorophenyl)acetic acid; benzylamine at 150℃; for 0.5h; microwave irradiation; Stage #2: With sodium hydroxide; XPhos; palladium diacetate In water; toluene at 100℃; for 0.5h; microwave irradiation; | 80% |
2-(2,6-dichlorophenyl)acetic acid
β-(3-chlorobenzyl)mercaptoethylamine
N-[2-(3-chlorobenzylsulfanyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
Conditions | Yield |
---|---|
Stage #1: 2-(2,6-dichlorophenyl)acetic acid With dicyclohexyl-carbodiimide In dichloromethane for 0.5h; Inert atmosphere; Stage #2: β-(3-chlorobenzyl)mercaptoethylamine With triethylamine In dichloromethane at 20℃; for 1h; Inert atmosphere; | 80% |
Stage #1: 2-(2,6-dichlorophenyl)acetic acid With dicyclohexyl-carbodiimide In dichloromethane for 0.5h; Inert atmosphere; Stage #2: β-(3-chlorobenzyl)mercaptoethylamine With triethylamine In dichloromethane at 20℃; for 1h; Inert atmosphere; | 80% |
2-(2,6-dichlorophenyl)acetic acid
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; | 78% |
The Benzeneaceticacid, 2,6-dichloro-, with the CAS registry number 6575-24-2, is also known as 2,6-Dichlorobenzeneacetic acid. It belongs to the product categories of Acids and Derivatives; Aromatic Phenylacetic Acids and Derivatives; Phenylacetic acid; C8; Carbonyl Compounds; Carboxylic Acids. Its EINECS number is 229-504-0. This chemical's molecular formula is C8H6Cl2O2 and formula weight is 205.04. What's more, its IUPAC name is 2-(2,6-dichlorophenyl)acetic acid.
Physical properties of Benzeneaceticacid, 2,6-dichloro- are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): -0.66; (5)ACD/BCF (pH 5.5): 1.34; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.08; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 47.15 cm3; (15)Molar Volume: 140.7 cm3; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.456 g/cm3; (18)Flash Point: 150.5 °C; (19)Enthalpy of Vaporization: 59.89 kJ/mol; (20)Boiling Point: 325.2 °C at 760 mmHg; (21)Vapour Pressure: 9.54E-05 mmHg at 25°C.
Uses of Benzeneaceticacid, 2,6-dichloro-: it can be used to produce 2,6-dichloro-benzaldehyde at the temperature of 25°C. It will need reagent HgF2, O2 and solvent acetonitrile with reaction time of 24 hours. The yield is about 76%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. You need wear suitable gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides, you must wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)O)Cl
(2)InChI: InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
(3)InChIKey: SFAILOOQFZNOAU-UHFFFAOYSA-N
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