CAS No.120427-96-5,4-(2'-BROMOETHYL)-1,3-DIHYDRO-2H-INDOLE-2-ONE Suppliers

Products Categories

Pharmaceutical (50)
Organic Chemicals (17)
Others (8)

Basic Information

Molecular Structure:
CAS No.:	120427-96-5
Name:	4-(2'-BROMOETHYL)-1,3-DIHYDRO-2H-INDOLE-2-ONE
Article Data:	7

Formula:	C₁₀H₁₀BrNO
Molecular Weight:	240.099
Synonyms:	4-(2-Bromoethyl)-1,3-dihydro-2H-indol-2-one;4-(2-Bromoethyl)indolin-2-one;
EINECS:	1308068-626-2
Density:	1.529 g/cm³
Melting Point:	153-155°C
Boiling Point:	373.798 °C at 760 mmHg
Flash Point:	179.867 °C
PSA:	29.10000
LogP:	2.25660

Synthetic route

: 120427-95-4
4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
With sodium hypophosphite; palladium on activated charcoal In ethyl acetate for 0.583333h; Heating;	95%
With sodium hypophosphite monohydrate; palladium on activated charcoal In water; ethyl acetate Large scale;	95%
With sodium hypophosphite hydrate; palladium 10% on activated carbon In water; ethyl acetate for 1h; Heating / reflux;	88.97%
With phosphonic Acid; sodium iodide In ethanol at 70℃; for 5h; Reagent/catalyst;	86.7%

: 22901-09-3
2-(2-bromoethyl)benzaldehyde

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 80 percent / MeONa / methanol / 1 h / 0 °C 2: 53 percent / AcCl, FeCl3 / CH2Cl2 / 3 h / 0 - 5 °C 3: 95 percent / aq. NaH2PO2 / 10percent Pd-C / ethyl acetate / 0.58 h / Heating View Scheme

: 2-(2-bromoethyl)-β-nitrostyrene

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 53 percent / AcCl, FeCl3 / CH2Cl2 / 3 h / 0 - 5 °C 2: 95 percent / aq. NaH2PO2 / 10percent Pd-C / ethyl acetate / 0.58 h / Heating View Scheme

: sodium phosphinate hydrate

: 7440-44-0
pyrographite

: 7440-05-3
palladium

: 120427-95-4
4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
In water

...Expand

: sodium phosphinate hydrate

: 120427-95-4
4-(2-bromoethyl)-3-chloro-1,3-dihydro-2H-indolin-2-one

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
carbon palladium In water	17.0 g (82%)

: 493-05-0
isochromane

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: bromine / water / Irradiation 2: water; methanol / Acidic conditions; Large scale 3: iron(III) chloride / Acidic conditions; Large scale 4: palladium on activated charcoal; sodium hypophosphite monohydrate / water; ethyl acetate / Large scale View Scheme
Multi-step reaction with 7 steps 1: zinc(II) chloride / dichloromethane / Reflux 2: hexamethylenetetramine; acetic acid / ethanol; water 3: N-butylamine; acetic acid; nitromethane / methanol / 20 °C 4: iron(III) chloride / dichloromethane / 0 - 5 °C 5: hydrazine hydrate; palladium 10% on activated carbon / methanol 6: sodium hydroxide; water / methanol / Reflux 7: carbon tetrabromide; triphenylphosphine / dichloromethane / 0 - 20 °C View Scheme

Yield

Multi-step reaction with 4 steps
1: bromine / water / Irradiation
2: water; methanol / Acidic conditions; Large scale
3: iron(III) chloride / Acidic conditions; Large scale
4: palladium on activated charcoal; sodium hypophosphite monohydrate / water; ethyl acetate / Large scale
View Scheme

Multi-step reaction with 7 steps
1: zinc(II) chloride / dichloromethane / Reflux
2: hexamethylenetetramine; acetic acid / ethanol; water
3: N-butylamine; acetic acid; nitromethane / methanol / 20 °C
4: iron(III) chloride / dichloromethane / 0 - 5 °C
5: hydrazine hydrate; palladium 10% on activated carbon / methanol
6: sodium hydroxide; water / methanol / Reflux
7: carbon tetrabromide; triphenylphosphine / dichloromethane / 0 - 20 °C
View Scheme

: 50683-32-4
1-Bromoisochromane

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: water; methanol / Acidic conditions; Large scale 2: iron(III) chloride / Acidic conditions; Large scale 3: palladium on activated charcoal; sodium hypophosphite monohydrate / water; ethyl acetate / Large scale View Scheme

: 2-(2-bromoethyl)-β-nitrostyrene

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: iron(III) chloride / Acidic conditions; Large scale 2: palladium on activated charcoal; sodium hypophosphite monohydrate / water; ethyl acetate / Large scale View Scheme

: 139122-17-1
4-[2-(benzoyloxy)ethyl]-3-chloro-1,3-dihydro-2H-indolin-2-one

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrazine hydrate; palladium 10% on activated carbon / methanol 2: sodium hydroxide; water / methanol / Reflux 3: carbon tetrabromide; triphenylphosphine / dichloromethane / 0 - 20 °C View Scheme

: 139122-18-2
4-(2-benzoyloxyethyl)-1,3-dihydro-2H-indolin-2-one

: 120427-96-5
4-(2'-bromoethyl)-1,3-dihydro-2H-indol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide; water / methanol / Reflux 2: carbon tetrabromide; triphenylphosphine / dichloromethane / 0 - 20 °C View Scheme

Raw Materials

493-05-0

Downstream Products

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:67 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 120427-96-5

Specification

The 4-(2-Bromoethyl)-2-oxoindole, with the CAS registry number 120427-96-5, is also known as 4-(2-Bromoethyl)-1,3-dihydro-2H-indol-2-one. It belongs to the product category of Pharmaceutical Material and Intermeidates. This chemical's molecular formula is C₁₀H₁₀BrNO and molecular weight is 240.10. What's more, its systematic name is called 2H-Indol-2-one, 4-(2-bromoethyl)-. It is a useful synthetic intermediate.

Physical properties about 4-(2-Bromoethyl)-2-oxoindole are: (1) ACD/LogP: 1.35; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.35; (4) ACD/LogD (pH 7.4): 1.35; (5) ACD/BCF (pH 5.5): 6.24; (6) ACD/BCF (pH 7.4): 6.24; (7) ACD/KOC (pH 5.5): 128.99; (8) ACD/KOC (pH 7.4): 128.99; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 29.43 Å²; (13) Index of Refraction: 1.648; (14) Molar Refractivity: 54.99 cm³; (15) Molar Volume: 151 cm³; (16) Surface Tension: 49.1 dyne/cm; (17) Density: 1.57 g/cm³; (18) Flash Point: 182.4 °C; (19) Enthalpy of Vaporization: 62.58 kJ/mol; (20) Boiling Point: 378 °C at 760 mmHg; (21) Vapour Pressure: 6.49E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:c1cc(c2=CC(=O)N=c2c1)CCBr
(2) InChI: InChI=1/C10H8BrNO/c11-5-4-7-2-1-3-9-8(7)6-10(13)12-9/h1-3,6H,4-5H2
(3) InChIKey: KEFXEJHKEJPEOB-UHFFFAOYAI