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| CAS No.: | 3274-12-2 |
|---|---|
| Name: | 4-METHYL-4-TRICHLOROMETHYL-2,5-CYCLOHEXADIEN-1-ONE) |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C8H7Cl3O |
| Molecular Weight: | 225.502 |
| Synonyms: | 4-Methyl-4-(trichloromethyl)-2,5-cyclohexadienone;4-Methyl-4-trichloromethyl-2,5-cyclohexadien-1-one;NSC 407523; |
| Density: | 1.419 g/cm3 |
| Melting Point: | 103-104℃ (ligroine ) |
| Boiling Point: | 289 °C at 760 mmHg |
| Flash Point: | 120.6 °C |
| PSA: | 17.07000 |
| LogP: | 3.05800 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 56-23-5
tetrachloromethane
- 106-44-5
p-cresol
- 3274-12-2
4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In 1,2-dichloro-ethane at 5 - 38℃; for 2h; Solvent; Temperature; | 34% |
| With aluminium trichloride In carbon disulfide at 45℃; for 2h; | 30% |
| With aluminium trichloride at 100℃; |
- 56-23-5
tetrachloromethane
- 106-44-5
p-cresol
A
- 3274-12-2
4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
B
- 95258-01-8
4-chloro-5-methyl-2,4,6-cycloheptatrien-1-one
| Conditions | Yield |
|---|---|
| With aluminium trichloride Heating; | A 12% B 0.007 g |
- 56-23-5
tetrachloromethane
- 7446-70-0
aluminium trichloride
- 106-44-5
p-cresol
- 3274-12-2
4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
- 3274-12-2
4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
- 81294-21-5
4-methyl-4-trichloromethyl-2,5-cyclohexadien-1-one oxime
| Conditions | Yield |
|---|---|
| With hydroxylamine hydrochloride In pyridine; ethanol at 85℃; for 5h; | 94% |
| With ethanol; hydroxylamine hydrochloride; water Behandeln mit Natronlauge; |
- 3274-12-2
4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
- 104-94-9
4-methoxy-aniline
A
- 39253-43-5
N-(4-methylphenyl)-4-methoxyaniline
B
- 129332-85-0
(4-Methoxy-phenyl)-(4-methyl-4-trichloromethyl-cyclohexa-2,5-dienylidene)-amine
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In toluene Heating; 24-28 h; | A 4% B 87% |
- 3274-12-2
4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
- 62-53-3
aniline
A
- 620-84-8
4-methyldiphenylamine
B
- 51590-71-7
1-Phenylimino-4-methyl-4-trichloromethyl-2,5-cyclohexadiene
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In toluene Heating; 24-28 h; | A 12% B 86% |
| With toluene-4-sulfonic acid In toluene Heating; 24-28 h, other activating reagent; other arylamines; | A 12% B 84% |
- 3274-12-2
4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
- 186820-98-4
(C8H7Cl3O)2Rh2Cl2
| Conditions | Yield |
|---|---|
| In dichloromethane stirring (3 h, 20°C); evapn., washing (Et2O), drying (vac.); elem. anal.; | 80% |
- 3274-12-2
4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
- 540-37-4
p-aminoiodobenzene
- 129332-88-3
(4-Iodo-phenyl)-(4-methyl-4-trichloromethyl-cyclohexa-2,5-dienylidene)-amine
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In toluene Heating; 24-28 h; | 78% |
- 3274-12-2
4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
- 542-92-7
cyclopenta-1,3-diene
- 185307-47-5
1-cyclopentadienylidene-4-methyl-4-trichloromethylcyclohexa-2,5-diene
| Conditions | Yield |
|---|---|
| With pyrrolidine In methanol at 20℃; for 1.5h; Condensation; | 78% |
- 3274-12-2
4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
- 23719-80-4
cyclopropylmagnesium bromide
| Conditions | Yield |
|---|---|
| Grignard Reaction; | 75% |
- Total:30 Page 1 of 1 1
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Specification
The 2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)-, with the CAS registry number 3274-12-2, is also known as 4-Trichloromethyl-4-methyl-2,5-cyclohexadienone. This chemical's molecular formula is C8H7Cl3O and molecular weight is 225.499580. Its IUPAC name is called 4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one.
Physical properties of 2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)-: (1)ACD/LogP: 2.55; (2)#H bond acceptors: 1; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 0; (5)Index of Refraction: 1.548; (6)Molar Refractivity: 50.46 cm3; (7)Molar Volume: 158.8 cm3; (8)Surface Tension: 44.6 dyne/cm; (9)Density: 1.419 g/cm3; (10)Flash Point: 120.6 °C; (11)Enthalpy of Vaporization: 52.82 kJ/mol; (12)Boiling Point: 289 °C at 760 mmHg; (13)Vapour Pressure: 0.00226 mmHg at 25°C.
Preparation of 2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)-: this chemical can be prepared by 4-methyl-phenol and tetrachloromethane. This reaction will need reagent aluminium chloride. The reaction temperature is 100 °C.
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Uses of 2,5-Cyclohexadien-1-one,4-methyl-4-(trichloromethyl)-: it can be used to produce 4-methyl-4-trichloromethyl-cyclohexa-2,5-dienone oxime. This reaction will need reagents alcohol, water and hydroxylamine hydrochloride.
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You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)C/1(/C=C\C(=O)\C=C\1)C
(2)InChI: InChI=1/C8H7Cl3O/c1-7(8(9,10)11)4-2-6(12)3-5-7/h2-5H,1H3
(3)InChIKey: RCHALGLCCGJUAE-UHFFFAOYAU