ChemicalBook > CAS DataBase List > ISOQUINOLINE-5-CARBALDEHYDE

ISOQUINOLINE-5-CARBALDEHYDE

Product Name
ISOQUINOLINE-5-CARBALDEHYDE
CAS No.
80278-67-7
Chemical Name
ISOQUINOLINE-5-CARBALDEHYDE
Synonyms
CHEMBRDG-BB 4301909;RARECHEM AK ML 0044;5-Formyl isoquinoline;5-ISOQUINOLINECARBALDEHYDE;ISOQUINOLINE-5-CARBALDEHYDE;5-isoquinolinecarboxaldehyde;ISOQUINOLINE-5-CARBOXALDEHYDE;Isoquinoline-5-carbaldehyde ,98%;Isoquinoline-5-carboxaldehyde,97%;Isoquinoline-5-carboxaldehyde 96%
CBNumber
CB9333444
Molecular Formula
C10H7NO
Formula Weight
157.17
MOL File
80278-67-7.mol
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ISOQUINOLINE-5-CARBALDEHYDE Property

Melting point:
116-120 °C
Boiling point:
331.7±15.0 °C(Predicted)
Density 
1.223±0.06 g/cm3(Predicted)
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
form 
powder to crystal
pka
4.53±0.13(Predicted)
color 
White to Light yellow
Sensitive 
Air Sensitive
BRN 
112875
InChI
InChI=1S/C10H7NO/c12-7-9-3-1-2-8-6-11-5-4-10(8)9/h1-7H
InChIKey
ILRSABOCKMOFGW-UHFFFAOYSA-N
SMILES
C1C2=C(C(C=O)=CC=C2)C=CN=1
CAS DataBase Reference
80278-67-7(CAS DataBase Reference)
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Safety

Hazard Codes 
Xn
Risk Statements 
36/37/38-36-22
Safety Statements 
26-36
WGK Germany 
3
HazardClass 
IRRITANT
HS Code 
29334900
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H319Causes serious eye irritation

Precautionary statements

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
675180
Product name
Isoquinoline-5-carboxaldehyde
Purity
96%
Packaging
1g
Price
$90.6
Updated
2023/06/20
TCI Chemical
Product number
I0942
Product name
Isoquinoline-5-carboxaldehyde
Purity
>98.0%(GC)
Packaging
1g
Price
$155
Updated
2025/07/31
TCI Chemical
Product number
I0942
Product name
Isoquinoline-5-carboxaldehyde
Purity
>98.0%(GC)
Packaging
5g
Price
$618
Updated
2025/07/31
TRC
Product number
I809018
Product name
Isoquinoline-5-carbaldehyde
Packaging
100mg
Price
$75
Updated
2021/12/16
SynQuest Laboratories
Product number
4H15-1-J5
Product name
Isoquinoline-5-carboxaldehyde
Packaging
1g
Price
$76
Updated
2021/12/16
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ISOQUINOLINE-5-CARBALDEHYDE Chemical Properties,Usage,Production

Chemical Properties

Yellow to light brown powder

Uses

Direct conversion of heteroaryl-carboxaldehydes to acetonitriles by treatment with cyanoethylphosphonate followed by samarium(II) iodide reduction.

Synthesis

34784-04-8

68-12-2

80278-67-7

To a solvent mixture of ether (80 mL) and tetrahydrofuran (80 mL), n-butyllithium (19.3 mL, 2.5 M hexane solution, 48 mmol) was slowly added dropwise at -78 °C. Subsequently, a solution of 5-bromoisoquinoline (5.0 g, 24 mmol) in tetrahydrofuran (10 mL) was added dropwise. The reaction mixture was stirred at -78 °C and under argon protection for 30 min. Referring to the method of Pearson et al. in Journal of Heterocyclic Chemistry, Vol. 6, No. 2, pp. 243-245 (1969), a tetrahydrofuran (10 mL) solution of N,N-dimethylformamide (3.30 g, 45 mmol) was rapidly added to the lithium isoquinolinium solution after it was cooled to -78°C. The mixture was continued to be stirred at -78 °C for 15 minutes. Subsequently, ethanol (20 mL) and saturated ammonium chloride solution were added. The resulting suspension was slowly warmed to room temperature. The organic and ether extracted layers were combined and dried with anhydrous sodium sulfate. Purification by silica gel column chromatography (SiO2-H, hexane solution of 50% ethyl acetate) and ethanol recrystallization afforded isoquinoline-5-carbaldehyde (2.4 g, 15 mmol, 64% yield) as a light yellow solid with a melting point of 114-116 °C.1H NMR (DMSO-d6) δ 10.40 (s, 1H), 9.44 (s, 1H), 8.85 (d 1H, J = 6.0 Hz), 8.69 (d, 1H, J = 6.0 Hz), 8.45 (m, 2H), 7.90 (t, 1H, J = 7.2 Hz); 13C NMR (DMSO-d6) δ 194.23, 153.5, 146.2, 140.2, 135.2, 132.6, 130.2, 128.6, 127.5, 117.2. Calculated elemental values (C10H7NO-0.05H2O): C, 75.99; H, 4.53; N, 8.86. Measured values: C, 75.98; H, 4.66; N, 8.68.

References

[1] Journal of Medicinal Chemistry, 2002, vol. 45, # 17, p. 3660 - 3668
[2] Patent: US2007/155720, 2007, A1. Location in patent: Page/Page column 24

ISOQUINOLINE-5-CARBALDEHYDE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from ISOQUINOLINE-5-CARBALDEHYDE manufacturers

Career Henan Chemical Co
Product
ISOQUINOLINE-5-CARBALDEHYDE 80278-67-7
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
200kg
Release date
2019-12-25

80278-67-7, ISOQUINOLINE-5-CARBALDEHYDERelated Search:


  • 5-Formyl isoquinoline
  • RARECHEM AK ML 0044
  • CHEMBRDG-BB 4301909
  • ISOQUINOLINE-5-CARBOXALDEHYDE
  • ISOQUINOLINE-5-CARBALDEHYDE
  • Isoquinoline-5-carboxaldehyde,97%
  • 5-Isoquinolinecarboxaldehyde (6CI,9CI)
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  • Isoquinoline-5-carbaldehyde ,98%
  • isoquinoline-5-carbaldehyde(SALTDATA: FREE)
  • 5-ISOQUINOLINECARBALDEHYDE
  • Isoquinoline-5-carboxaldehyde 96%
  • Isoquinoline-5-carboxaldehyde &gt
  • ISOQUINOLINE-5-CARBALDEHYDE ISO 9001:2015 REACH
  • 80278-67-7
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