1-Bromo-3,5-dimethyladamantane
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1-Bromo-3,5-dimethyladamantane
structure -
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CAS No:
941-37-7
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Formula:
C12H19Br
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Chemical Name:
1-Bromo-3,5-dimethyladamantane
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Synonyms:
Tricyclo[3.3.1.13,7]decane,1-bromo-3,5-dimethyl-;Adamantane,1-bromo-3,5-dimethyl-;1-Bromo-3,5-dimethyltricyclo[3.3.1.13,7]decane;3,5-Dimethyl-1-bromoadamantane;1,3-Dimethyl-5-bromoadamantane;1-Bromo-3,5-dimethyladamantane;NSC 102293;1204184-77-9
- Categories:
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CAS No:
1-Bromo-3,5-dimethyladamantane Basic Attributes
243.18
243.18
213-378-9
SE68KQ68T1
102293
2903890090
Characteristics
0
5
clear colorless oil
1.4±0.1 g/cm3
67-69 °C @ Press: 0.03 Torr
228 °F
1.578
Refrigerator
Safety Information
IRRITANT
NONH for all modes of transport
3
34-36
26-27-36/37/39-45
C
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 27 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Bromo-3,5-dimethyladamantane Use and Manufacturing
A) 59.9 g (0.345 mol) of bromine, Anhydrous aluminum trichloride 10 g (0.075 mol)1, 2-dichloroethane (37.8 g) was added to the reactor to stir well;B) heating the reaction solution A to 15 ° C;C) 50 g (0.3 mol) of 1, 3-dimethyladamantane was added to the mixture obtained in the step (b) to obtain a reaction mixtureIn the liquid B, the reaction process with 5percent sodium hydroxide solution absorption;D) Add 400 g of saturated sodium bisulfite solution to the reaction solution B until the red color in the reaction solution completely disappeared, The organic phase C and the water phase D;E) The organic phase C was washed with 400 g of water and the washed organic phase C was dried with 20 g of anhydrous sodium sulfate;F) the organic phase C obtained in step (e) is distilled off to obtain the crude product E;G) crude product E was distilled under reduced pressure to give 1-bromo-3, 5-dimethyl adamantane, yield 92percent, gas chromatography purity ≥ 99percent.General procedure: The reactions were carried out in glass ampoules (20 mL) or in a pressure microreactor of stainless steel (17 mL). The results of parallel experiments were identical. Into the microreactor (ampoule) in an argon atmosphere was charged 0.3 mmol of Fe(acac)
Used as memantine intermediate
Computed Properties
Molecular Weight:243.18
XLogP3:5
Exact Mass:242.06701
Monoisotopic Mass:242.06701
Heavy Atom Count:13
Complexity:240
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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