Morclofone
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Morclofone
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CAS No:
31848-01-8
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Formula:
C21H24ClNO5
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Chemical Name:
Morclofone
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Synonyms:
Methanone,(4-chlorophenyl)[3,5-dimethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-;Benzophenone,4′-chloro-3,5-dimethoxy-4-(2-morpholinoethoxy)-;(4-Chlorophenyl)[3,5-dimethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]methanone;Dimeclophenone;Morclofone;K 3712;Plausitin;Dimecolphenone;Nitux;Medicil
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CAS No:
Morclofone Basic Attributes
405.87
405.87
250-838-8
VY62TIB872
DTXSID50185710
R - Respiratory system
Characteristics
57.2 Ų
1.220±0.06 g/cm3
91.5 °C
563.1±50.0 °C(Predicted)
LD50 orally in mice: 552 mg/kg (Lauria)
6.28±0.10
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Morclofone Use and Manufacturing
Sodium methoxide (1.2 g) in dimethylformamide (150 ml) was stirred with 3,5-dimethoxy-4'-chloro-4-hydroxybenzophenone (6 g) in dimethylformamide (50 ml), for 2 hours at 120°C. The reaction mixture was then treated with β- morpholinoethyl chloride (3.4 g) and heated for 1 hour at 140C, then evaporated to dryness, and treated with water to give a solid material. The mixture was filtered, washed and crystallized from cyclohexane to give 3,5- dimethoxy-4'-chloro-4-(β-morpholinoethoxy)-benzophenone (6.5 g), MP 91°C to 92°C. The product was then reacted at about 0°C with gaseous hydrogen chloride in ether to give, after crystallization from isopropanol, the corresponding hydrochloride which had a MP of 187.9°C.
Computed Properties
Molecular Weight:405.9
XLogP3:3.5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:405.1343006
Monoisotopic Mass:405.1343006
Topological Polar Surface Area:57.2
Heavy Atom Count:28
Complexity:465
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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