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| CAS No.: | 2898-08-0 |
|---|---|
| Name: | 1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one |
| Article Data: | 55 |
| Molecular Structure: | |
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| Formula: | C15H12 N2 O |
| Molecular Weight: | 236.273 |
| Synonyms: | 1,2-Dihydro-5-phenyl-3H-1,4-benzodiazepin-2-one;1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one; 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one;5-Phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one;5-Phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one;5-Phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one; Dechlorodemethyldiazepam;Desmethyldechlorodiazepam; NSC 656624; Ro 05-2921; Ro 5-2921 |
| EINECS: | 220-781-3 |
| Density: | 1.21 g/cm3 |
| Melting Point: | 170-180 °C |
| Boiling Point: | 424.4 °C at 760 mmHg |
| Flash Point: | 210.5 °C |
| PSA: | 41.46000 |
| LogP: | 2.04970 |
- 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
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- 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
- 23207-75-2
N-(2-benzoylphenyl)-2-chloroacetamide
- 2898-08-0
2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
| Conditions | Yield |
|---|---|
| With hexamethylenetetramine; ammonium acetate In ethanol for 6h; Reflux; | 95% |
| With hexamethylenetetramine In ethanol; chloroform | 86% |
| With paraformaldehyde In methanol; toluene | 84.7% |
| With hexamethylenetetramine; ammonium chloride In ethanol for 4h; Reflux; | 50% |
| Multi-step reaction with 2 steps 1: sodium azide / N,N-dimethyl-formamide / 18 h / 20 °C / Inert atmosphere 2: diphenylsilane; 9-phenyl-9-phosphafluorene / 1,4-dioxane / 16 h / 101 °C / Inert atmosphere View Scheme |
- 14439-71-5
2'-benzoyl-2-bromo-acetanilide
- 2898-08-0
2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
| Conditions | Yield |
|---|---|
| With ammonia In methanol Heating; | 90% |
| With ammonia In methanol for 2h; Heating; Yield given; | |
| With ammonium hydroxide In ethanol Yield given; |
- 23207-75-2
N-(2-benzoylphenyl)-2-chloroacetamide
A
- 23207-85-4
3-amino-1,2-dihydro-2-oxo-4-phenylquinoline
D
- 2898-08-0
2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
| Conditions | Yield |
|---|---|
| With hexamethylenetetramine; ammonia In ethanol at 70℃; Further byproducts given; | A n/a B n/a C n/a D 89% |
- 2185-00-4
1,3-oxazolidine-2,5-dione
- 2835-77-0
(2-aminophenyl)(phenyl)methanone
- 2898-08-0
2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
| Conditions | Yield |
|---|---|
| Stage #1: 1,3-oxazolidine-2,5-dione; (2-aminophenyl)(phenyl)methanone With trifluoroacetic acid In toluene at 60℃; for 0.5h; Sealed tube; Stage #2: With triethylamine at 80℃; for 0.5h; Sealed tube; | 89% |
- 2898-08-0
2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
| Conditions | Yield |
|---|---|
| With 9-phenyl-9-phosphafluorene; diphenylsilane In 1,4-dioxane at 101℃; for 16h; Inert atmosphere; | 88% |
- 79-04-9
chloroacetyl chloride
- 2835-77-0
(2-aminophenyl)(phenyl)methanone
- 2898-08-0
2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
| Conditions | Yield |
|---|---|
| Stage #1: chloroacetyl chloride; (2-aminophenyl)(phenyl)methanone With triethylamine In dichloromethane at 20 - 30℃; for 3h; Stage #2: With ammonia at 25℃; | 84.4% |
| With sodium iodide; ammonia; acetic acid In tetrahydrofuran; chloroform; ethyl acetate |
- 598-21-0
2-Bromoacetyl bromide
- 2835-77-0
(2-aminophenyl)(phenyl)methanone
- 2898-08-0
2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
| Conditions | Yield |
|---|---|
| Stage #1: 2-Bromoacetyl bromide; (2-aminophenyl)(phenyl)methanone With sodium hydrogencarbonate In chloroform at 0℃; Stage #2: With ammonia In methanol at 0 - 20℃; Heating / reflux; | 83% |
| Stage #1: 2-Bromoacetyl bromide; (2-aminophenyl)(phenyl)methanone In dichloromethane; water Stage #2: With ammonia | |
| With sodium hydroxide In dichloromethane |
- 4530-20-5
BOC-glycine
- 2835-77-0
(2-aminophenyl)(phenyl)methanone
- 2898-08-0
2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
| Conditions | Yield |
|---|---|
| Stage #1: BOC-glycine; (2-aminophenyl)(phenyl)methanone With dicyclohexyl-carbodiimide In toluene at 150℃; for 0.5h; Microwave irradiation; Stage #2: With trifluoroacetic acid In toluene at 150℃; for 0.333333h; Microwave irradiation; | 83% |
| Stage #1: BOC-glycine; (2-aminophenyl)(phenyl)methanone With dicyclohexyl-carbodiimide In toluene at 150℃; for 1.5h; Microwave irradiation; Stage #2: With trifluoroacetic acid In toluene for 0.333333h; | 65% |
| Stage #1: BOC-glycine With 4-methyl-morpholine; chloroformic acid ethyl ester In tetrahydrofuran at -20℃; for 0.25h; Stage #2: (2-aminophenyl)(phenyl)methanone With 4-methyl-morpholine In tetrahydrofuran at 20℃; Stage #3: With trifluoroacetic acid In dichloromethane at 0 - 20℃; |
| Conditions | Yield |
|---|---|
| 53% | |
| Multi-step reaction with 2 steps 1: NaHCO3 / CH2Cl2 2: 90 percent / NH3 / methanol / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: CH2Cl2 2: aq. NH3 / ethanol View Scheme |
- 623-33-6
glycine ethyl ester hydrochloride
- 2835-77-0
(2-aminophenyl)(phenyl)methanone
- 2898-08-0
2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one
| Conditions | Yield |
|---|---|
| In pyridine for 3h; Dean-Stark; Molecular sieve; Reflux; | 52.5% |
| With pyridine at 100℃; | 34% |
- Total:37 Page 1 of 1 1
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Chemistry
Molecular Structure of 1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one (CAS No.2898-08-0):
Molecular Formula: C15H12N2O
Molecular Weight: 236.2686
CAS No: 2898-08-0
IUPAC Name: 5-Phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 32.67 Å2
Index of Refraction: 1.647
Molar Refractivity: 70.98 cm3
Molar Volume: 195.2 cm3
Surface Tension: 48.1 dyne/cm
Density: 1.21 g/cm3
Flash Point: 210.5 °C
Enthalpy of Vaporization: 67.89 kJ/mol
Boiling Point: 424.4 °C at 760 mmHg
Vapour Pressure: 2.08E-07 mmHg at 25°C
InChI: InChI=1/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)
InChIKey: IVUAAOBNUNMJQC-UHFFFAOYAK
Std. InChI: InChI=1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)
Std. InChIKey: IVUAAOBNUNMJQC-UHFFFAOYSA-N
Product Categories: Pharmacetical
Specification
1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one (CAS No.2898-08-0), its synonyms are 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one ; 2H-1,4-benzodiazepin-2-one, 1,3-dihydro-5-phenyl- ; 5-Phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one ; 5-Phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one ; 2,3-Dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one