3-isoquinolinecarboxaldehyde
- Product Name
- 3-isoquinolinecarboxaldehyde
- CAS No.
- 5470-80-4
- Chemical Name
- 3-isoquinolinecarboxaldehyde
- Synonyms
- 3-Formylisoquinoline;Isoquinoline-3-carbaldehyde;3-isoquinolinecarboxaldehyde;Isoquinoline-3-carboxaldehyde;Isoquinoline-3-carboxaldehyde 95%;3-Formylisoquinoline, 3-Formyl-2-azanaphthalene;3-isoquinolinecarboxaldehyde ISO 9001：2015 REACH;3-Isoquinolinecarboxaldehyde (6CI, 7CI, 8CI, 9CI, ACI)
- CBNumber
- CB11458256
- Molecular Formula
- C10H7NO
- Formula Weight
- 157.17
- MOL File
- 5470-80-4.mol
3-isoquinolinecarboxaldehyde Property
- Melting point:
- 47 °C
- Boiling point:
- 151 °C(Press: 10 Torr)
- Density
- 1.223±0.06 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- pka
- 2.94±0.30(Predicted)
- color
- White
- InChI
- InChI=1S/C10H7NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-7H
- InChIKey
- XOYMAJLARWXZBA-UHFFFAOYSA-N
- SMILES
- C1C2=C(C=CC=C2)C=C(C=O)N=1
Safety
- HS Code
- 2933499090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
N-Bromosuccinimide Price
- Product number
- I874955
- Product name
- Isoquinoline-3-carbaldehyde
- Packaging
- 25mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- I874955
- Product name
- Isoquinoline-3-carbaldehyde
- Packaging
- 50mg
- Price
- $100
- Updated
- 2021/12/16
- Product number
- OR40275
- Product name
- Isoquinoline-3-carboxaldehyde
- Purity
- 95%
- Packaging
- 250mg
- Price
- $93
- Updated
- 2021/12/16
- Product number
- 4H15-1-N7
- Product name
- Isoquinoline-3-carboxaldehyde
- Packaging
- 250mg
- Price
- $103
- Updated
- 2021/12/16
- Product number
- W6893
- Product name
- 3-Isoquinolinecarboxaldehyde
- Packaging
- 250mg
- Price
- $158
- Updated
- 2021/12/16
3-isoquinolinecarboxaldehyde Chemical Properties,Usage,Production
Synthesis Reference(s)
Journal of the American Chemical Society, 73, p. 688, 1951 DOI: 10.1021/ja01146a055
Synthesis
27104-73-0
5470-80-4
General procedure for the synthesis of isoquinoline-3-carbaldehyde from methyl isoquinoline-3-carboxylate: methyl isoquinoline-3-carboxylate (2.0 g, 10.7 mmol) was dissolved in toluene and the solution was cooled to -78 °C. Diisobutylaluminum hydride (1 M solution in toluene, 21.4 mL, 21.4 mmol) was slowly added to this solution using a syringe over a period of 15 minutes. Keeping the reaction mixture at -78 °C, the reaction was quenched with a mixture of ether (80 mL), acetic acid (20 mL) and water (8 mL). The mixture was then slowly warmed to room temperature and stirred overnight. The organic layer was separated and the solvent was evaporated. Purification by fast column chromatography (eluent gradient: 1:4 ethyl acetate/hexane to 1:3 ethyl acetate/hexane) afforded 1.1 g of the title compound isoquinoline-3-carbaldehyde in 65% yield.1H-NMR (CDCl3, 300 MHz) δ 10.24 (s, 1H), 9.35 (s, 1H), 8.36 (s, 1H), 8.07- 7.98 (m, 2H), 7.82-7.32 (m, 2H). MS: m/z 158 ([MH]+).
References
[1] Patent: WO2005/56550, 2005, A2. Location in patent: Page/Page column 75-76
[2] Patent: WO2005/92885, 2005, A1. Location in patent: Page/Page column 73
[3] Patent: WO2005/56562, 2005, A1. Location in patent: Page/Page column 71-72
[4] Tetrahedron Letters, 1999, vol. 40, # 6, p. 1211 - 1214
[5] Patent: US5554620, 1996, A
3-isoquinolinecarboxaldehyde Preparation Products And Raw materials
Raw materials
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View Lastest Price from 3-isoquinolinecarboxaldehyde manufacturers
- Product
- 3-isoquinolinecarboxaldehyde 5470-80-4
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-11
- Product
- 3-isoquinolinecarboxaldehyde 5470-80-4
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-09
- Product
- 3-isoquinolinecarboxaldehyde 5470-80-4
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 95-99%
- Supply Ability
- 500kg/month
- Release date
- 2019-08-01