1,3-Adamantanediol
Product Information
Molecular Formula
C10H16O2
Molecular Weight
168.23
Description
3-Methoxycarbonylphthalide is an organic chemical of utmost significance within the pharmaceutical field. It showcases profound antiviral attributes, showing unparalleled efficacy in studying a multitude of viral afflictions such as influenza and herpes. Demonstrating its prowess in hindering viral replication, it solidifies itself as an auspicious candidate for expedited advancements in antiviral therapeutics.
Synonyms
Tricyclo[3.3.1.13,7]decane-1,3-diol; 1,3-Adamantandiol; 1,3-Dihydroxyadamantane
IUPAC Name
adamantane-1,3-diol
SMILES
C1C2CC3(CC1CC(C2)(C3)O)O
InChI
InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2
InChI Key
MOLCWHCSXCKHAP-UHFFFAOYSA-N
Boiling Point
320.4±10.0°C at 760 mmHg
Melting Point
324-326°C
Purity
≥95%
Density
1.368±0.06 g/cm3
Solubility
Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance
White to almost white powder to crystal
Storage
Store at -20°C
LogP
1.06240
Safety Information
Hazards
H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word
Warning
Computed Properties
XLogP3
0.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
168.115029749 g/mol
Monoisotopic Mass
168.115029749 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
190
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114057615-A | High-temperature-resistant polymerizable antibacterial agent, preparation thereof and application thereof in synthesis of antibacterial polyester | 2021-11-11 |
| CN-113736246-A | Casting polyurethane for fitness equipment and preparation method thereof | 2021-09-09 |
| CN-113717314-A | Photosensitive film-forming resin, photoresist composition and preparation method thereof | 2021-08-26 |
| CN-113372190-A | Method for preparing 1, 3-adamantanediol from 3-amino-1-adamantanol | 2021-06-08 |
| CN-112962165-A | Spandex fiber with reversible three-shape memory effect and preparation method and application thereof | 2021-01-21 |
| CN-112661610-A | Preparation method of 1, 3-dihydroxy adamantane | 2020-12-28 |
| CN-112661741-A | Photoresist resin monomer containing Meldrum's acid structure and synthetic method thereof | 2020-12-23 |
| CN-112663168-A | Spandex fiber with reversible shape memory effect and preparation method and application thereof | 2020-12-22 |
| CN-112159304-A | Method for preparing 1, 3-adamantanediol by using 1-bromoadamantane as starting material | 2020-10-26 |
| CN-112250578-A | Method for preparing 1, 3-adamantanediol by using 1-adamantanol as starting raw material | 2020-10-26 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22639090 | 2012-09-01 | Regioselective synthesis of 1,3,5-adamantanetriol from 1,3-adamantanediol using Kitasatospora cells | Biotechnology letters |
| 20471592 | 2010-06-01 | Bioconversion of 1-adamantanol to 1,3-adamantanediol using Streptomyces sp. SA8 oxidation system | Journal of bioscience and bioengineering |
