6-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
- Product Name
- 6-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
- CAS No.
- 22246-12-4
- Chemical Name
- 6-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
- Synonyms
- 6-METHOXY-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE;105298;in-1(2H)-one;6-Methoxy-3,4-dihydroisoquinoL;6-METHOXY-3,4-1(1H)-ISOQUINOLINONE;6-methoxy-3,4-dihydroisoquinolin-1-ol;3,4-Dihydro-6-methoxy-1(2H)-isoquinolinone;6-METHOXY-3,4-DIHYDRO-1(2H)-ISOQUINOLINONE;6-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE;1(2H)-Isoquinolinone, 3,4-dihydro-6-methoxy-
- CBNumber
- CB8263452
- Molecular Formula
- C10H11NO2
- Formula Weight
- 177.2
- MOL File
- 22246-12-4.mol
6-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE Property
- Melting point:
- 136-138℃
- Boiling point:
- 439.8±45.0 °C(Predicted)
- Density
- 1.159
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.77±0.20(Predicted)
- Appearance
- White to yellow Solid
- InChI
- InChI=1S/C10H11NO2/c1-13-8-2-3-9-7(6-8)4-5-11-10(9)12/h2-3,6H,4-5H2,1H3,(H,11,12)
- InChIKey
- WLQWIZAWNPYMBR-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=C(OC)C=C2)CCN1
Safety
- HS Code
- 2933499090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- M265453
- Product name
- 6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- P000387188
- Product name
- 6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one
- Purity
- 97%
- Packaging
- 1g
- Price
- $70
- Updated
- 2021/12/16
- Product number
- 072195
- Product name
- 6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one
- Purity
- 95+%
- Packaging
- 1g
- Price
- $79
- Updated
- 2021/12/16
- Product number
- CS-0018999
- Product name
- 6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one
- Packaging
- 1g
- Price
- $101
- Updated
- 2021/12/16
- Product number
- P000387188
- Product name
- 6-Methoxy-3,4-dihydroisoquinolin-1(2H)-one
- Purity
- 97%
- Packaging
- 5g
- Price
- $212
- Updated
- 2021/12/16
6-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE Chemical Properties,Usage,Production
Synthesis
110192-21-7
22246-12-4
General procedure for the synthesis of 6-(methoxy)-3,4-dihydro-1(2H)-isoquinolinone from the compound (CAS:110192-21-7): the feedstock compound (35.0 g, 167.26 mmol) was slowly added to preheated polyphosphoric acid (184 mL, 183.99 mmol) at 120 °C, keeping the temperature at 120 °C. The reaction mixture was stirred at room temperature for 6 h. Subsequently, the reaction was quenched with ice water, alkalized with K2CO3 to pH neutral and extracted with dichloromethane (DCM). The organic layers were combined, dried with anhydrous Na2SO4, filtered and the solvent concentrated. The crude product was purified by silica gel column chromatography using ethyl acetate (EtOAc)/hexane (1:1) as eluent to afford the target product 6-(methoxy)-3,4-dihydro-1(2H)-isoquinolone (38.5 g, 218 mmol, 76% yield) as a white solid.1H NMR (500 MHz, CDCl3) δ 8.01 (d, J = 8.7 Hz, 1H), 6.90 (d, J = 8.7 Hz, 1H), 6.86 (dd, J = 8.7, 2.4 Hz, 1H), 6.71 (d, J = 2.4 Hz, 1H), 3.85 (s, 3H), 3.56 (td, J = 6.6, 2.8 Hz, 2H), 2.96 (t, J = 6.6 Hz, 2H); EI/ MS m/z 177.1 [M+].
References
[1] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 2, p. 207 - 219
[2] Patent: US2017/145007, 2017, A1. Location in patent: Paragraph 0322-0325
[3] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 4, p. 789 - 801
[4] Patent: WO2012/97682, 2012, A1. Location in patent: Page/Page column 134
[5] Patent: WO2012/97684, 2012, A1. Location in patent: Page/Page column 108
6-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 6-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE manufacturers
- Product
- 6-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE 22246-12-4
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2020-01-09