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1-Bromo-3,5-dimethyladamantane

1-Bromo-3,5-dimethyladamantane structure

CAS No:
941-37-7
Formula:
C12H19Br
Chemical Name:
1-Bromo-3,5-dimethyladamantane
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:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Clear Colorless Oil

1-Bromo-3,5-dimethyladamantane Basic Attributes

Molecular Weight：

243.18

Exact Mass：

243.18

EC Number：

213-378-9

UNII：

SE68KQ68T1

NSC Number：

102293

HScode：

2903890090

Characteristics

PSA：

XLogP3：

Appearance：

clear colorless oil

Density：

1.4±0.1 g/cm3

Boiling Point：

67-69 °C @ Press: 0.03 Torr

Flash Point：

228 °F

Refractive Index：

1.578

Storage Conditions：

Refrigerator

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

34-36

safety instructions：

26-27-36/37/39-45

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|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

Methods of 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)

Uses

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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Guide of 1-Bromo-3,5-dimethyladamantane

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1-Bromo-3,5-dimethyladamantane

SDS

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