2,2-Dimethylbernsteinsure

Bezeichnung:2,2-Dimethylbernsteinsure

CAS-Nr597-43-3

Englisch Name:2,2-Dimethylsuccinic acid

CBNumberCB4697169

SummenformelC6H10O4

Molgewicht146.14

MOL-Datei597-43-3.mol

Synonyma

2,2-Dimethylbernsteinsure

2,2-Dimethylbernsteinsure physikalisch-chemischer Eigenschaften

Schmelzpunkt	138-142 °C (lit.)
Siedepunkt	311.39°C (rough estimate)
Dichte	1.4528 (rough estimate)
Brechungsindex	1.4328 (estimate)
storage temp.	Sealed in dry,Room Temperature
pka	3.80±0.10(Predicted)
Aggregatzustand	powder to crystal
Farbe	White to Almost white
Wasserlöslichkeit	70g/L(14 ºC)
BRN	1764476
InChI	1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
InChIKey	GOHPTLYPQCTZSE-UHFFFAOYSA-N
SMILES	CC(C)(CC(O)=O)C(O)=O
CAS Datenbank	597-43-3(CAS DataBase Reference)
NIST chemische Informationen	2,2-Dimethylbutanedioic acid(597-43-3)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36-37/39
WGK Germany	3
HS Code	29171900
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

2,2-Dimethylsuccinic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
white crystalline powder
Verwenden
Derivatives of 2,2-dimethylsuccinic acid serve as precursors for the synthesis of specific isoprenoids[1]. The compound acts as a starting material for synthesizing dimethyl 2,2-dimethylsuccinate via esterification with methanol and sulfuric acid, and serves as a ligand in the preparation of the bio-MOF Cu-AD-DMSA alongside copper nitrate and adenine[1][3]. It reacts with (PyH)5[MoOCl4(H2O)]3Cl2 in the presence of base to afford pyridinium salts of the [Mo2O4Cl4(μ2-dmsH)]3− complex[2].
Definition
ChEBI: An alpha,omega-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 2 respectively.
Synthesis Reference(s)
Journal of the American Chemical Society, 71, p. 3418, 1949 DOI: 10.1021/ja01178a044
Synthesis, p. 710, 1980 DOI: 10.1055/s-1980-29181
läuterung methode
Crystallise the acid from EtOH/ether or EtOH/chloroform. [Beilstein 2 IV 1996.]
Einzelnachweise
[1] Strunz, G. M., Ya, L. (1992). 2,2-Dimethylsuccinic acid derivatives in isoprenoid synthesis: a 2,2-dimethylvinyl anion equivalent in the synthesis of ar-atlantone, ar-turmerone, and prenylated aromatic compounds. Canadian Journal of Chemistry, 70(5), 1317–1322. https://doi.org/10.1139/v92-169
[2] Modec, B. (2013). Hydrogen-Bonding in Two Pyridinium Salts of [Mo2O4Cl4(μ2-dmsH)]3−Complex (dmsH− = a Half-Neutralized Form of 2,2-Dimethylsuccinic Acid). Crystals, 3(2), 275–288. https://doi.org/10.3390/cryst3020275
[3] Wang, Y., Zhang, F., Yang, Y., Wang, X., Li, L., Li, J., Yang, J. (2025). Optimizing the pore environment in biological metal–organic frameworks through the incorporation of hydrogen bond acceptors for inverse ethane/ethylene separation. Journal of Colloid and Interface Science, 687, 439–448. https://doi.org/10.1016/j.jcis.2025.02.088

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