Products Categories
| CAS No.: | 5291-77-0 |
|---|---|
| Name: | 1-Benzyl-2-pyrrolidinone |
| Article Data: | 84 |
| Molecular Structure: | |
|
|
|
| Formula: | C11H13NO |
| Molecular Weight: | 175.23 |
| Synonyms: | 2-Pyrrolidinone,1-(phenylmethyl)-;2-Pyrrolidinone,1-benzyl- (6CI,7CI,8CI);1-Benzyl-2-oxopyrrolidine;1-Benzylazacyclopentan-2-one;N-Benzyl-2-pyrrolidone;N-Benzylbutyrolactam;N-Benzylpyrrolidin-2-one;N-Benzylpyrrolidone;NSC 30184; |
| EINECS: | 226-131-5 |
| Density: | 1.134 g/cm3 |
| Melting Point: | 154 - 156oC |
| Boiling Point: | 343.041 °C at 760 mmHg |
| Flash Point: | 141.343 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | clear colourless to yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 20.31000 |
| LogP: | 1.74690 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- 534616-88-1
1-benzylazetidine-2-carbaldehyde
- 5291-77-0
1-benzyl-2-pyrrolidone
| Conditions | Yield |
|---|---|
| With 2-pentafluorophenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.5h; Inert atmosphere; | 100% |
| Conditions | Yield |
|---|---|
| With 1-butyl-3-methylimidazolium Tetrafluoroborate In 1,4-dioxane at 220℃; for 0.583333h; Microwave irradiation; | 99% |
| for 24h; Heating; | 79% |
| With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium acetate In toluene at 110℃; for 36h; Reagent/catalyst; Inert atmosphere; Glovebox; Molecular sieve; Schlenk technique; | 65% |
- 64017-86-3
N-benzyl-4-(benzylamino)butanamide
- 5291-77-0
1-benzyl-2-pyrrolidone
| Conditions | Yield |
|---|---|
| With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium acetate; benzylamine In toluene for 48h; Inert atmosphere; Glovebox; Molecular sieve; Schlenk technique; Reflux; | 97% |
- 22813-61-2
N-benzyl-4-chlorobutanamide
- 5291-77-0
1-benzyl-2-pyrrolidone
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tetrahydrofuran at 0℃; for 2h; | 96% |
| With sodium hydride In hexane; N,N-dimethyl-formamide; mineral oil at 20℃; for 1h; | 96% |
| With potassium hydroxide |
- 1307661-09-1
C18H18ClN
- 5291-77-0
1-benzyl-2-pyrrolidone
| Conditions | Yield |
|---|---|
| With tetrakis(trifluoroacetato)rhodium(II); water In toluene for 10h; Reflux; Inert atmosphere; chemoselective reaction; | 95% |
| Conditions | Yield |
|---|---|
| With hydrogen; sodium sulfate; palladium on activated charcoal In ethyl acetate at 100℃; under 30002.4 Torr; for 4h; | 93% |
| With hydrogen; sodium sulfate; palladium on activated charcoal In ethyl acetate at 100℃; under 30002.4 Torr; for 4h; | 93% |
| Conditions | Yield |
|---|---|
| With N-benzyl-trimethylammonium hydroxide at 20℃; Neat (no solvent); chemoselective reaction; | 92% |
| Stage #1: 2-pyrrolidinon With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.5h; Inert atmosphere; Stage #2: benzyl bromide In tetrahydrofuran; mineral oil at 0 - 23℃; for 15h; Inert atmosphere; | 83% |
| Stage #1: 2-pyrrolidinon With sodium hydride In tetrahydrofuran; paraffin oil at 0℃; for 0.5h; Inert atmosphere; Stage #2: benzyl bromide In tetrahydrofuran; paraffin oil at 0 - 20℃; Inert atmosphere; | 82% |
- 5291-77-0
1-benzyl-2-pyrrolidone
| Conditions | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid In diethyl ether at 0℃; for 0.25h; Inert atmosphere; | 91.5% |
- 5291-77-0
1-benzyl-2-pyrrolidone
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene at 10℃; for 2h; Irradiation; | 91% |
- 35665-25-9
cyclopropanecarboxylic acid benzylamide
- 5291-77-0
1-benzyl-2-pyrrolidone
| Conditions | Yield |
|---|---|
| With carbon tetrabromide; triphenylphosphine In acetonitrile at 60℃; for 10h; | 91% |
What can I do for you?
Get Best Price
Specification
The 1-Benzyl-2-pyrrolidinone, with the CAS registry number 5291-77-0, is also known as N-Benzyl-2-pyrrolidone. It belongs to the product categories of Heterocyclic Building Blocks; Pyrrolidines. Its EINECS number is 226-131-5. This chemical's molecular formula is C11H13NO and molecular weight is 175.23. What's more, its systematic name is Methyl 2,6-difluorobenzoate. Its classification codes are: (1)Antineoplastic agents; (2)Drug / Therapeutic Agent; (3)Immunologic Factors; (4)Interferon inducers; (5)Mutation data; (6)Reproductive Effect. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.
Physical properties of 1-Benzyl-2-pyrrolidinone are: (1)ACD/LogP: 0.745; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.17; (6)ACD/BCF (pH 7.4): 2.17; (7)ACD/KOC (pH 5.5): 60.58; (8)ACD/KOC (pH 7.4): 60.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 51.31 cm3; (15)Molar Volume: 154.578 cm3; (16)Polarizability: 20.341×10-24cm3; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.134 g/cm3; (19)Flash Point: 141.343 °C; (20)Enthalpy of Vaporization: 58.686 kJ/mol; (21)Boiling Point: 343.041 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by pyrrolidin-2-one and chloromethyl-benzene at the ambient temperature. This reaction will need solvent 1,2-dimethoxy-ethane with the reaction time of 48 hours. This reaction will also need catalyst KF-alumina. The yield is about 81%.
Uses of 1-Benzyl-2-pyrrolidinone: it can be used to produce 1-benzyl-pyrrolidine at the ambient temperature. It will need reagents TiCl4, NaBH4 and solvent 1,2-dimethoxy-ethane with the reaction time of 14 hours. The yield is about 93%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(Cc1ccccc1)CCC2
(2)Std. InChI: InChI=1S/C11H13NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
(3)Std. InChIKey: LVUQCTGSDJLWCE-UHFFFAOYSA-N