1,3-Dichloroisoquinoline
- Product Name
- 1,3-Dichloroisoquinoline
- CAS No.
- 7742-73-6
- Chemical Name
- 1,3-Dichloroisoquinoline
- Synonyms
- oroisoquinoL;TIMTEC-BB SBB003563;1,3-DICHLOROISOQUINOLINE;isoquinoline, 1,3-dichloro-;1,3-Dichloroisoquinoline,97%;1,3-Dichloroisoquinoline >7742-73-6 1,3-Dichloroisoquinoline;1,3-Dichloroisoquinoline ISO 9001：2015 REACH;4-(AMINOMETHYL)-4-HYDROXY-1-METHYLPIPERIDINE
- CBNumber
- CB6349044
- Molecular Formula
- C9H5Cl2N
- Formula Weight
- 198.05
- MOL File
- 7742-73-6.mol
1,3-Dichloroisoquinoline Property
- Melting point:
- 121-122 °C (lit.)
- Boiling point:
- 307°C(lit.)
- Density
- 1.407±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- -1.49±0.50(Predicted)
- color
- Light yellow to Brown to Dark green
- InChI
- InChI=1S/C9H5Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5H
- InChIKey
- BRGZEQXWZWBPJH-UHFFFAOYSA-N
- SMILES
- C1(Cl)C2=C(C=CC=C2)C=C(Cl)N=1
- CAS DataBase Reference
- 7742-73-6(CAS DataBase Reference)
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
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
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
- 368830
- Product name
- 1,3-Dichloroisoquinoline
- Purity
- 97%
- Packaging
- 5g
- Price
- $84.5
- Updated
- 2025/07/31
- Product number
- D4285
- Product name
- 1,3-Dichloroisoquinoline
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $77
- Updated
- 2025/07/31
- Product number
- D435020
- Product name
- 1,3-Dichloroisoquinoline
- Packaging
- 100mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- R763
- Product name
- 1,3-Dichloroisoquinoline
- Packaging
- 10g
- Price
- $87
- Updated
- 2021/12/16
- Product number
- JK105434
- Product name
- 1,3-Dichloroisoquinoline
- Purity
- 97%
- Packaging
- 1g
- Price
- $88
- Updated
- 2021/12/16
1,3-Dichloroisoquinoline Chemical Properties,Usage,Production
Chemical Properties
White to brown crystalline powder
Uses
1,3-Dichloroisoquinoline may be used in the facile synthesis of 1,3,4-trisubstituted isoquinoline derivatives.
Synthesis Reference(s)
Journal of the American Chemical Society, 80, p. 5481, 1958 DOI: 10.1021/ja01553a042
General Description
1,3-Dichloroisoquinoline undergoes Pd(PPh3)4 catalyzed regioselective coupling with arylboronic acids to afford to 1-aryl-3-chloroisoquinolines. Reaction of amine with 1,3-dichloroisoquinoline has been studied. Regioselectivity of the Stille coupling reaction of (1-ethoxyvinyl)tri(n-butyl)stannane with 1,3-dichloroisoquinoline has been investigated.
Synthesis
4456-77-3
7742-73-6
Example 60B Synthesis of 1,3-dichloroisoquinoline: The product of Example 60A, 1,3-[2H,4H]-isoquinolinedione (6.5 g, 40.4 mmol) was mixed with phenylphosphinic acid dichloride (11.5 mL, 81.1 mmol) and the reaction was heated for 3 hours at 160 °C. After the reaction was completed, it was cooled to room temperature and left to stand overnight. The reaction mixture was dissolved in tetrahydrofuran (200 mL) and hydrolyzed by adding water (60 mL), followed by concentration under reduced pressure to remove the tetrahydrofuran. The resulting aqueous phase was neutralized with concentrated NH4OH, followed by extraction with ethyl acetate. The organic phases were combined, washed sequentially with water and brine, dried over anhydrous Na2SO4, and concentrated under reduced pressure to afford 1,3-dichloroisoquinoline as a yellow flaky solid (6.92 g, 74% yield).
References
[1] Patent: US2005/113576, 2005, A1. Location in patent: Page/Page column 30
[2] Journal of Medicinal Chemistry, 2007, vol. 50, # 15, p. 3651 - 3660
[3] Patent: US6340759, 2002, B1. Location in patent: Example 17
[4] Patent: WO2010/127855, 2010, A1. Location in patent: Page/Page column 136; 137
1,3-Dichloroisoquinoline Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1,3-Dichloroisoquinoline manufacturers
- Product
- 1,3-Dichloroisoquinoline 7742-73-6
- Price
- US $2.00-6.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 100kg
- Release date
- 2025-07-25
- Product
- 1,3-Dichloroisoquinoline 7742-73-6
- Price
- US $8.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 10tons
- Release date
- 2018-12-25