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1,3-Dimethyladamantane

1,3-Dimethyladamantane structure

CAS No:
702-79-4
Formula:
C12H20
Chemical Name:
1,3-Dimethyladamantane
Synonyms:
Tricyclo[3.3.1.13,7]decane,1,3-dimethyl-;Adamantane,1,3-dimethyl-;1,3-Dimethyltricyclo[3.3.1.13,7]decane;1,3-Dimethyladamantane;3,5-Dimethyladamantane;82833-88-3
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colourless liquid

1,3-dimethyladamantane is a polycyclic alkane and a member of adamantanes. It derives from a hydride of an adamantane.

1,3-Dimethyladamantane Basic Attributes

Molecular Weight：

164.29

Exact Mass：

164.29

EC Number：

211-870-8

UNII：

96G4OD5Z59

DSSTox ID：

DTXSID1049439

HScode：

2902199090

Characteristics

PSA：

XLogP3：

4.6

Appearance：

clear colourless liquid

Density：

1.0±0.1 g/cm3

Melting Point：

-30 °C

Boiling Point：

203-213 °C @ Press: 746 Torr

Flash Point：

127 °F

Refractive Index：

1.521

Storage Conditions：

Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

safety instructions：

16-60

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents. Flammable.

Precautionary statement(s)：

P210-P370 + P378

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 53 companies from 5 notifications to the ECHA C&L Inventory.

1,3-Dimethyladamantane Use and Manufacturing

Methods of Manufacturing

General procedure: To a solution of thiocarbonate 5g (107 mg, 0.200 mmol) in CPME (0.5 mL) were added dropwise a solution of n-Bu3SnH (75.7 mg, 0.260 mmol) and AIBN (6.6 mg, 0.040 mmol) in CPME (1.5 mL) with a syringe pump over 30 min at 90 °C. The resultant mixture was stirred at 90 °C for 30 min and concentrated. The residue was purified by 10percent w/w K2CO3-silica gel flash column chromatography (hexane→hexane/EtOAc=100/1→50/1→20/1) to give the cis-fused cyclized product 6g (53.6 mg, 0.140 mmol, 70percent) and 2.8:1 mixture of cis and trans-fused diastereomers (22.0 mg, 0.0572 mmol, 29percent). These isomers were separated by the repeated column chromatography for spectral analysis.#10; [0041] A reaction was carried out under substantially the same conditions as those in except that HF and BF [0040] PHA was subjected to an isomerization reaction by use of a Hastelloy autoclave having a capacity of 0.5 L and including an electromagnetic stirring device, a heating device, a gas and liquid supply opening and a reaction product discharge opening. 50 g (2.5 mol) of HF produced by Morita Chemical Industries Co., Ltd. and 100 g (0.6 mol) of PHA were put to a reactor, and 16 g (0.24 mol) of BF

Uses

1,3-Dimethyladamantane is a dimethylated adamantane derivative.Memantine impurity A.

Computed Properties

Molecular Weight:164.29
XLogP3:4.6
Exact Mass:164.156500638
Monoisotopic Mass:164.156500638
Heavy Atom Count:12
Complexity:182
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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