Products Categories
| CAS No.: | 82104-74-3 |
|---|---|
| Name: | 5-Cyanophthalide |
| Molecular Structure: | |
|
|
|
| Formula: | C9H5NO2 |
| Molecular Weight: | 159.144 |
| Synonyms: | 1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile; |
| EINECS: | 279-900-2 |
| Density: | 1.36 g/cm3 |
| Melting Point: | 201-205 °C(lit.) |
| Boiling Point: | 407.5 °C at 760 mmHg |
| Flash Point: | 199.3 °C |
| Appearance: | white to pale yellow crystalline solid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 36/37-36-26 |
| PSA: | 50.09000 |
| LogP: | 1.22868 |
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 934473-85-5
5-hydroxamyl phthalide
- 82104-74-3
1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile
| Conditions | Yield |
|---|---|
| With thionyl chloride at 80℃; for 6h; Product distribution / selectivity; Heating / reflux; | 91% |
- 4792-29-4
5-carboxyphtalide
- 82104-74-3
1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile
| Conditions | Yield |
|---|---|
| Stage #1: 5-carboxyphtalide With ethyl phosphate; ammonium carbonate In acetonitrile at 0 - 25℃; for 6h; Stage #2: at 90 - 95℃; for 12h; | 89.5% |
| With thionyl chloride; SULFAMIDE In sulfolane; water | |
| With thionyl chloride; SULFAMIDE In sulfolane; water |
| Conditions | Yield |
|---|---|
| Stage #1: potassium cyanide With acetic acid In ethylene glycol at 20℃; Sealed tube; Stage #2: 5-bromophthalide With P(t-Bu)3 Palladacycle Gen. 3; potassium acetate In 1,4-dioxane; water at 60℃; for 16h; Sealed tube; | 84% |
- 64169-34-2
5-bromophthalide
- 86164-70-7
2-methyl-2-phenylmalononitrile
- 82104-74-3
1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile
| Conditions | Yield |
|---|---|
| With C10H8Br2N2Ni*(x)H2O; zinc In N,N-dimethyl acetamide at 80℃; for 16h; Inert atmosphere; Sealed tube; | 57% |
- 14906-59-3
4-cyanopyridine N-oxide
- 64169-34-2
5-bromophthalide
- 82104-74-3
1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile
| Conditions | Yield |
|---|---|
| With potassium fluoride; 4,4'-dimethyl-2,2'-bipyridines; trifluoroacetic acid; sodium iodide; nickel dichloride; zinc In N,N-dimethyl acetamide at 60℃; for 36h; | 38% |
- 389613-68-7
1-oxo-3-hydroxy-1,3-dihydro-N-phenylisoindole-5-carbonitrile
- 82104-74-3
1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile
| Conditions | Yield |
|---|---|
| Stage #1: 1-oxo-3-hydroxy-1,3-dihydro-N-phenylisoindole-5-carbonitrile With sodium tetrahydroborate In methanol at 20℃; for 24h; Stage #2: With hydrogenchloride In methanol at 20℃; for 48h; pH=1; | 35% |
- 65399-05-5
5-amino-3H-isobenzofuran-1-one
- 82104-74-3
1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile
| Conditions | Yield |
|---|---|
| With potassium cyanide; copper(II) sulfate ueber eine wss. Diazoniumsalz-Loesung; |
- 17922-96-2
4-cyanobenzanilide
- 82104-74-3
1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: BuLi / hexamethylphosphoric acid triamide; tetrahydrofuran / 0.67 h / -20 - 20 °C 1.2: 68 percent / tetrahydrofuran; hexamethylphosphoric acid triamide / -78 - 20 °C 2.1: NaBH4 / methanol / 24 h / 20 °C 2.2: 35 percent / aq. HCl / methanol / 48 h / 20 °C / pH 1 View Scheme |
- 6068-72-0
4-cyanobenzoyl chlorIde
- 82104-74-3
1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: 92 percent / pyridine / CH2Cl2 / 20 h 2.1: BuLi / hexamethylphosphoric acid triamide; tetrahydrofuran / 0.67 h / -20 - 20 °C 2.2: 68 percent / tetrahydrofuran; hexamethylphosphoric acid triamide / -78 - 20 °C 3.1: NaBH4 / methanol / 24 h / 20 °C 3.2: 35 percent / aq. HCl / methanol / 48 h / 20 °C / pH 1 View Scheme |
- 452978-39-1
(E,Z)-1-oxo-1,3-dihydroisobenzofuran-5-carbaldehyde oxime
- 82104-74-3
1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile
| Conditions | Yield |
|---|---|
| Stage #1: (E,Z)-1-oxo-1,3-dihydroisobenzofuran-5-carbaldehyde oxime With triethylamine; trifluoroacetic acid In tetrahydrofuran at 0 - 20℃; for 1h; Stage #2: With sodium hydrogencarbonate In tetrahydrofuran; water |
- 131-55-52,2',4,4'-Tetrahydroxybenzophenone
- 767-00-04-Cyanophenol
- 141-82-2Malonic acid
- 367-21-53-Chloro-4-fluoroaniline
- 1309-42-8Magnesium hydroxide
- 140-88-5Ethyl acrylate
- 28920-43-69-Fluorenylmethyl chloroformate
- 98-88-4Benzoyl chloride
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Chemistry
Molecular structure of 5-Cyanophthalide (CAS NO.82104-74-3) is:
Product Name: 5-Cyanophthalide
CAS Registry Number: 82104-74-3
IUPAC Name: 1-Oxo-3H-2-benzofuran-5-carbonitrile
Molecular Weight: 159.1415 [g/mol]
Molecular Formula: C9H5NO2
XLogP3: 0.5
H-Bond Donor: 0
H-Bond Acceptor: 3
EINECS: 279-900-2
Melting Point: 201-205 °C(lit.)
Surface Tension: 60 dyne/cm
Density: 1.36 g/cm3
Flash Point: 199.3 °C
Enthalpy of Vaporization: 65.94 kJ/mol
Boiling Point: 407.5 °C at 760 mmHg
Vapour Pressure: 7.53E-07 mmHg at 25°C
Product Categories: Phthalides; Intermediatesofcitalopram; API intermediates; Aromatics Compounds; Aromatics; Miscellaneous Reagents
Uses
5-Cyanophthalide (CAS NO.82104-74-3) is a useful synthetic intermediate.
Safety Profile
Safty information about 5-Cyanophthalide (CAS NO.82104-74-3) is:
Hazard Codes: 
Xn,Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36/37-36-26
S36/37:Wear suitable protective clothing and gloves.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Specification
5-Cyanophthalide , its cas register number is 82104-74-3. It also can be called 1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile .It is a white to pale yellow crystalline solid.