- Crystal violet lactone
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Cas Database |
| Name |
Crystal violet lactone |
EINECS | 216-293-5 |
| CAS No. | 1552-42-7 | Density |
1.198 g/cm |
| PSA | 36.02000 | LogP | 4.34690 |
| Solubility | Insoluble in water | Melting Point |
180-183 °C |
| Formula | C26H29N3O2 | Boiling Point | 609.4 °C at 760 mmHg |
| Molecular Weight | 415.535 | Flash Point | 322.4 °C |
| Transport Information | N/A | Appearance | Blue-green crystals or pale green powder |
| Safety | 26-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Phthalide,6-(dimethylamino)-3,3-bis[p-(dimethylamino)phenyl]- (6CI,7CI,8CI);3,3-Bis[4-(dimethylamino)phenyl]-6-(dimethylamino)-1,3-dihydroisobenzofuran-1-one;3,3-Bis[4-(dimethylamino)phenyl]-6-(dimethylamino)phthalide;3,3-Bis[p-(dimethylamino)phenyl]-6-(dimethylamino)phthalide;6-(Dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-1(3H)-isobenzofuranone;CVL;Color Former CVL;Copikem 1 Blue;Copikem I;NSC 32991;NSC 3562;Pergascript Blue I 2R; |
Article Data | 8 |
Crystal violet lactone Synthetic route
- 1255-69-2
2-[4,4'-bis-(dimethylamino)-benzhydryl]-5-dimethylaminobenzoic acid
- 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium hydroxide In water | 95.4% |
- 76339-00-9
4,4-bis-(p-dimethylaminophenyl)-7-dimethylamino-3,4-dihydro-1(2H)-phthalazinone
A
- 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone
B
- 76918-85-9
3,3-bis-(p-dimethylaminophenyl)-6-dimethylamino-N-aminophthalimidine
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 2h; Heating; | A 0.33 g B 0.70 g |
- 77-78-1
dimethyl sulfate
- 29199-07-3
6-amino-3,3-bis(4-dimethylaminophenyl)phthalide
- 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone
- 5339-80-0
3,3-bis-p-dimethylaminophenylphthalide
- 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: nitric acid (d 1.45) / H2SO4 2: Fe / HCl View Scheme |
- 29199-08-4
6-nitro-3,3-bis(4-dimethylaminophenyl)phthalide
- 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Fe / HCl View Scheme |
- 77-09-8
phenolphthalein
A
- 1255-69-2
2-[4,4'-bis-(dimethylamino)-benzhydryl]-5-dimethylaminobenzoic acid
B
- 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone
| Conditions | Yield |
|---|---|
| With sodium hydroxide; acetic acid In water; toluene |
- 623927-11-7
(4-dimethylamino-benzyliden)-urea
- 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: 2 h / 80 °C 2.1: water / 2 h / 90 °C 2.2: 50 - 70 °C 3.1: dihydrogen peroxide / water / 2 h View Scheme |
- 100-10-7
4-dimethylamino-benzaldehyde
- 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: sulfuric acid / water / 2 h / 50 °C 2.1: 2 h / 80 °C 3.1: water / 2 h / 90 °C 3.2: 50 - 70 °C 4.1: dihydrogen peroxide / water / 2 h View Scheme |
- 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone
A
- 926919-99-5
[(η6-crystal violet lactone)RuCp*]PF6
| Conditions | Yield |
|---|---|
| In dichloromethane (inert conditions); stirring mixture of ruthenium compd. and crystal violet lactone in CH2Cl2 at room temp. for 2 h; evapn., chromy. (alumina, CH2Cl2-CH3CN (8:1)) to elute mononuclear complex, eluting with CH3CN to give dinuclear complex, elem. anal.; | A 72% B 8% |
- 88945-10-2
(η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0)
- 1552-42-7
3,3-Bis<-(dimethylamino)phenyl>-6-(dimethylamino)-1(3H)isobenzofuranone
- 926919-82-6
[(crystal violet lactone)Ru(η4-cod)]
| Conditions | Yield |
|---|---|
| With CH3CN In tetrahydrofuran (inert conditions); stirring mixture of ruthenium compd., crystal violetlactone and acetonitrile in THF at room temp. for 2 d; concn., filtration through alumina, evapn., chromy. (alumina, toluene, then toluene-THF (25:1)), evapn., (1)H NMR; | 47% |
Crystal violet lactone Chemical Properties
The Molecular Structure of 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)- (CAS NO.1552-42-7):
Empirical Formula: C26H29N3O2
Molecular Weight: 415.5274
Appearance: Blue-green crystals or pale green powder
IUPAC: 6-(dimethylamino)-3,3-bis(4-dimethylaminophenyl)-2-benzofuran-1-one
Nominal Mass: 415 Da
Average Mass: 415.5274 Da
Monoisotopic Mass: 415.225977 Da
Index of Refraction: 1.655
Molar Refractivity: 127.28 cm3
Molar Volume: 346.8 cm3
Surface Tension: 53 dyne/cm
Density: 1.198 g/cm3
Flash Point: 322.4 °C
Enthalpy of Vaporization: 90.52 kJ/mol
Boiling Point: 609.4 °C at 760 mmHg
Vapour Pressure: 8.57E-15 mmHg at 25°C
Water Solubility: <0.1 g/100 mL at 22.5 ºC
InChI
InChI=1/C26H29N3O2/c1-27(2)20-11-7-18(8-12-20)26(19-9-13-21(14-10-19)28(3)4)24-16-15-22(29(5)6)17-23(24)25(30)31-26/h7-17H,1-6H3
Smiles
O=C1OC(c2ccc(N(C)C)cc12)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
Product Categories: Organics;Color Former;Color Former & Related Compounds;Functional Materials;C;Stains and Dyes;Stains&Dyes, A to
Crystal violet lactone Uses
1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)- (CAS NO.1552-42-7) is an important functional dye for the production of pressure sensitive materials.
Crystal violet lactone Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S37/39:Wear suitable gloves and eye/face protection
Crystal violet lactone Specification
1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)- (CAS NO.1552-42-7) is also called as Crystal violet lactone ; 3,3-Bis(4-dimethylaminophenyl)-6-dimethylaminophthalide ; 3,3-Bis(p-dimethylaminophenyl)-6-dimethylaminophthalate ; 3,3-Bis(p-dimethylaminophenyl)-6-dimethylaminophthalide ; 6-(Dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)phthalide ; AI3-17349 ; Crystal Violet lactone ; EINECS 216-293-5 ; NSC 32991 ; NSC 3562 ; Phthalide, 6-(dimethylamino)-3,3-bis(p-(dimethylamino)phenyl)- ; 1(3H)-Isobenzofuranone, 6-(dimethylamino)-3,3-bis(4-(dimethylamino)phenyl)- 6-Dimethylamino-3,3-bis(4-dimethylaminophenyl)phthalide ; Phthalide, 6-(dimethylamino)-3,3-bis(p-(dimethylamino)phenyl)- .
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