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2-Methyl-2-adamantanol

2-Methyl-2-adamantanol structure

CAS No:
702-98-7
Formula:
C11H18O
Chemical Name:
2-Methyl-2-adamantanol
Synonyms:
Tricyclo[3.3.1.13,7]decan-2-ol,2-methyl-;2-Adamantanol,2-methyl-;2-Methyltricyclo[3.3.1.13,7]decan-2-ol;2-Methyl-2-adamantanol;2-Hydroxy-2-methyladamantane;NSC 193482
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white crystalline powder

2-Methyl-2-adamantanol Basic Attributes

Molecular Weight：

166.264

Exact Mass：

166.26

NSC Number：

193482

DSSTox ID：

DTXSID60220469

HScode：

2906199090

Characteristics

PSA：

20.2

XLogP3：

2.1

Appearance：

white crystalline powder

Density：

1.1±0.1 g/cm3

Melting Point：

214.7-216.5 °C

Boiling Point：

253.7ºC at 760 mmHg

Flash Point：

104.8±10.9 °C

Refractive Index：

1.538

Water Solubility：

H2O: insoluble

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S24/25

Marks：

Xi: Irritant;

2-Methyl-2-adamantanol Use and Manufacturing

3M Methylmagnesium chloride in THF (44 mL), was added through a canula to adamantan-2-one(10 g, 66.66 mmol) in THF (50 mL) at 0 °C. After stirring at 0 °C for 0.5 h, the reaction mixture was quenched by adding saturated NH2-methyl-2-adamantol (56)To a solution of 2-adamantone (1.5Og, lOmmol) in ether was added CHa. a.

Computed Properties

Molecular Weight:166.26
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:166.135765193
Monoisotopic Mass:166.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:12
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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