| Identification | More | [Name]
1,3-Adamantanedicarboxylic acid | [CAS]
39269-10-8 | [Synonyms]
1,3-ADAMANTANEDICARBOXYLIC ACID
1,3-DICARBOXYADAMANTANE
ADAMANTANE-1,3-DICARBOXYLIC ACID
AKOS BC-0656
Tricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid
tricyclo(3.3.1.1(sup3,7))decane-1,3-dicarboxylicacid | [EINECS(EC#)]
254-395-1 | [Molecular Formula]
C12H16O4 | [MDL Number]
MFCD00167790 | [Molecular Weight]
224.25 | [MOL File]
39269-10-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
276-278 °C (lit.) | [Boiling point ]
380.6±15.0 °C(Predicted) | [density ]
1.461±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Sparingly), Methanol (Slightly, Heated) | [form ]
Solid | [pka]
4.24±0.40(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16) | [InChIKey]
PAVQGHWQOQZQEH-UHFFFAOYSA-N | [SMILES]
C12(C(O)=O)CC3CC(CC(C(O)=O)(C3)C1)C2 | [CAS DataBase Reference]
39269-10-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319 | [Precautionary statements ]
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
YD1994000
| [HS Code ]
29172090 | [Storage Class]
11 - Combustible Solids |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
1-Adamantanecarboxylic acid-->Nitric acid-->Sulfuric acid-->Formic acid-->1-Adamantyl methyl ketone-->2-(adamantan-1-yl)-2-oxoacetic acid, 2-(1-adamantyl)-2-oxoethanoic acid-->2-(1-adamantyl)-2-oxo-acetaldehyde-->carbon monoxide-->Ethanone, 2-hydroxy-1-tricyclo[3.3.1.13,7]dec-1-yl--->Adamantane | [Preparation Products]
1,3,5,7-Adamantanetetracarboxylic acid-->4,4'-Trimethylenedipyridine-->Tricyclo[3.3.1.13,7]decane-1,3-dicarboxylic acid, 5-hydroxy- |
| Hazard Information | Back Directory | [Uses]
1,3-Adamantanedicarboxylic acid is a carboxylic acid derivative of adamantane. It is widely used in drug industry, polymer synthesis and fine chemicals as key intermediates. It is also used as antidepressants or antiparkinsonic drugs in clinical practice. | [Preparation]
1,3-Adamantanedicarboxylic acid was synthesized from 1-adamantane carboxylic acid by one-pot method. In this process, the ratio of mixed acid (nitric acid and sulfuric acid) have important effect on the yield, the role of sulfuric acid not only is solvent, but also can improve the oxidate ability of nitric acid.
Efficient Synthesis of 1,3-Adamantanedicarboxylic Acid and 1,3-Diaminoadamantane | [Purification Methods]
Dissolve the acid in aqueous NaOH, treat with charcoal, filter and acidify with dilute HCl. It crystallises from MeOH. [Stetter & Wulff Chem Ber 93 1366 1960, Beilstein 9 III 4066, 9 IV 2997.] |
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