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Home > Encyclopedia > Isoquinoline, 5-bromo-4-methyl-

Isoquinoline, 5-bromo-4-methyl-

Isoquinoline, 5-bromo-4-methyl- structure

Isoquinoline, 5-bromo-4-methyl- 

structure

Isoquinoline, 5-bromo-4-methyl- Basic Attributes

222.084

222.08

DTXSID40621091

2933499090

Characteristics

12.9

3.2

1.488±0.06 g/cm3(Predicted)

331.5°C at 760 mmHg

154.263ºC

1.654

Safety Information

3

22-41

26-39

Xn

P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, P501

H302

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Isoquinoline, 5-bromo-4-methyl- Use and Manufacturing

Intermediate X: 5-(2-Methoxy-4-(trifluoromethyl)phenyl)-4-methyl-l, 2, 3, 4- tetrahydroisoquinoline A solution of Cl2Pd(AmPhos) (Sigma-Aldrich, St. Louis, MO, 0.319 g, 0.450 mmol), 4-Methylisoquinoline (0.1 ml, synthesised according to the method described in Tetrahedron. Lett. 34, 45, 7239 (1993)) was dissolved in concentrated sulfuric acid (1 ml), then added with N-bromosuccinimide (125 mg) with ice cooling and stirred for 2 hours. The reaction mixture was added with 28% aqueous ammonia (5 ml) and extracted twice with dichloromethane (10 ml for each time). The organic layer was dried over anhydrous sodium sulfate, and then the solvent was evaporated under reduced pressure. The residue was purified by silica gel column chromatography (chloroform:methanol=50:1) to obtain the title compound (108 mg).

Computed Properties

Molecular Weight:222.08
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Exact Mass:220.98401
Monoisotopic Mass:220.98401
Topological Polar Surface Area:12.9
Heavy Atom Count:12
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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