CAS No.941-37-7,1-Bromo-3,5-dimethyladamantane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	941-37-7
Name:	1-Bromo-3,5-dimethyladamantane
Article Data:	19

Formula:	C₁₂H₁₉Br
Molecular Weight:	243.187
Synonyms:	Adamantane,1-bromo-3,5-dimethyl- (7CI,8CI);1,3-Dimethyl-5-bromoadamantane;3,5-Dimethyl-1-bromoadamantane;NSC 102293;
EINECS:	213-378-9
Density:	1.365 g/cm³
Boiling Point:	248.3 °C at 760 mmHg
Flash Point:	108.9 °C
Appearance:	clear colorless oil
Hazard Symbols:	C
Risk Codes:	34-36
Safety:	26-27-36/37/39-45
PSA:	0.00000
LogP:	4.13030

Synthetic route

: 702-79-4
1,3-dimethyladamantane

: 941-37-7
3,5-dimethyl-1-bromoadamantane

Conditions

Conditions	Yield
With aluminum (III) chloride; bromine In 1,2-dichloro-ethane at 15℃; Reagent/catalyst; Temperature; Solvent;	92%
With bromine for 12h; Reflux;	91.5%
With iron(III)-acetylacetonate; carbon tetrabromide at 150℃; for 3h; Sealed tube; Inert atmosphere;	85%

: 19982-07-1
1-acetamido-3,5-dimethyladamantane

A: 707-37-9
1,3-dimethyl-5-adamantanol

B: 941-37-7
3,5-dimethyl-1-bromoadamantane

C: 19982-08-2
memantine*

D: 41100-52-1
memantine hydrochloride

Conditions

Conditions	Yield
Stage #1: 1-acetamido-3,5-dimethyladamantane With sodium hydroxide In diethylene glycol at 105 - 170℃; for 10h; Stage #2: With hydrogenchloride In water; toluene at 5 - 15℃; for 2.5h; Product distribution / selectivity;

...Expand

: 707-37-9
1,3-dimethyl-5-adamantanol

: 941-37-7
3,5-dimethyl-1-bromoadamantane

Conditions

Conditions	Yield
With hydrogen bromide In water for 0.666667h; Inert atmosphere;

: 702-79-4
1,3-dimethyladamantane

A: 707-37-9
1,3-dimethyl-5-adamantanol

B: 941-37-7
3,5-dimethyl-1-bromoadamantane

C: 2-bromo-3,5-dimethyladamantane

Conditions

Conditions	Yield
With pyridine; carbon tetrabromide; water; manganese(III) acetylacetonate Catalytic behavior; Concentration; Temperature; Time; Heating;

...Expand

: 941-37-7
3,5-dimethyl-1-bromoadamantane

: 702-79-4
1,3-dimethyladamantane

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride at 90℃; for 1h; Solvent; Barton-McCombie Deoxygenation; Inert atmosphere;	100%
With decane; 2,2’-azobis(4-methoxy-2,4-dimethyl)valeronitrile; tri-n-butyl-tin hydride In toluene at 80℃; for 0.0166667h;	99 % Chromat.
Multi-step reaction with 2 steps 1: 98 percent / aq. HCl / dimethylformamide / 1.5 h 2: H2SO4 (91.5percent) / 72 h / Ambient temperature; var. of conc.of H2SO4, and var. of reaction time View Scheme

: 60-35-5
acetamide

: 941-37-7
3,5-dimethyl-1-bromoadamantane

: 19982-07-1
1-acetamido-3,5-dimethyladamantane

Conditions

Conditions	Yield
With dimanganese decacarbonyl at 120 - 130℃; Inert atmosphere; Autoclave;	99%
at 125℃; Temperature;	94%
at 70 - 160℃; for 6h; Temperature; Inert atmosphere;	92.4%

: 941-37-7
3,5-dimethyl-1-bromoadamantane

: 707-37-9
1,3-dimethyl-5-adamantanol

Conditions

Conditions	Yield
With hydrogenchloride In N,N-dimethyl-formamide for 1.5h;	98%
With sodium hydroxide In ethanol at 70℃; Temperature;	85%
With potassium carbonate at 150℃; for 6h;
With sodium hydroxide In water for 4h; Reflux;

: 941-37-7
3,5-dimethyl-1-bromoadamantane

: 75-16-1
methylmagnesium bromide

A: 702-79-4
1,3-dimethyladamantane

B: 707-35-7
1,3,5-trimethyladamantane

Conditions

Conditions	Yield
In dibutyl ether at 95℃;	A 2% B 98%

...Expand

: 941-37-7
3,5-dimethyl-1-bromoadamantane

: 79-05-0
Propionamid

: N-(3,5-dimethyladamant-1-yl)propanamide

Conditions

Conditions	Yield
With dimanganese decacarbonyl at 120 - 130℃; Inert atmosphere; Autoclave;	98%

: 941-37-7
3,5-dimethyl-1-bromoadamantane

: 55-21-0
benzamide

: N-(3,5-dimethyladamant-1-yl)benzamide

Conditions

Conditions	Yield
With dimanganese decacarbonyl at 120 - 130℃; Inert atmosphere; Autoclave;	97%

Raw Materials

19982-07-1

702-79-4

707-37-9

Downstream Products

19982-07-1

707-35-7

702-79-4

707-37-9

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Specification

1-Bromo-3,5-dimethyladamantane, with the CAS NO.941-37-7, is also named as 3,5-dimethyl-1-bromo- adamantane; 1-Bromo-3,5-Dimethyl; 1-BROMO-3,5- DIMETHYL DAMANTANE; 1,3-Dimethyl-5-bromoadamantane; tricyclo[3.3.1.1~3,7~]decane, 1-bromo-3,5-dimethyl-; NSC 102293. It belongs to the Product Categories of Chemical intermediate for Memantine HCl; Adamantane derivatives; Adamantanes; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks.

Physical properties about 1-Bromo-3,5-dimethyladamantane are: (1)ACD/LogP: 4.776; (2)ACD/LogD (pH 5.5): 4.78; (3)ACD/LogD (pH 7.4): 4.78; (4)ACD/BCF (pH 5.5): 2509.15; (5)ACD/BCF (pH 7.4): 2509.15; (6)ACD/KOC (pH 5.5): 9440.12; (7)ACD/KOC (pH 7.4): 9440.12; (8)Index of Refraction: 1.578; (9)Molar Refractivity: 59.127 cm³; (10)Molar Volume: 178.067 cm³ ; (11)Polarizability: 23.44 10-24cm³; (12)Surface Tension: 45.2379989624023 dyne/cm; (13)Density: 1.366 g/cm³; (14)Flash Point: 108.889 °C; (15)Enthalpy of Vaporization: 46.586 kJ/mol; (16)Boiling Point: 248.315 °C at 760 mmHg; (17)Vapour Pressure: 0.0379999987781048 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Take off immediately all contaminated clothing;
3. Wear suitable protective clothing, gloves and eye/face protection;
4. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);

You can still convert the following datas into molecular structure:
(1)InChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3;
(2)InChIKey=QUCXLVDIVQWYJR-UHFFFAOYSA-N;
(3)SmilesC12(C[C@@]3(C)CC(C2)C[C@@](C1)(C3)C)Br;