1-Adamantaneacetic acid

1-Adamantaneacetic acid
  • CAS No.:4942-47-6
Other grades of this product :
1-Adamantaneacetic acid Basic information
Product Name:1-Adamantaneacetic acid
Synonyms:a-(1-Adamantyl)acetic acid;Adamantane-1-acetic acid;2-(adaMantan-1-yl)acetic acid;1-AdaMantaneacetic acid, 98% 10GR;1-adamantylacetic acid(SALTDATA: FREE);(Adamant-1-yl)acetic acid;1-AdaMantaneacetic acid, 98.5%;1-adaMantineacetic acid
CAS:4942-47-6
MF:C12H18O2
MW:194.27
EINECS:225-585-1
Product Categories:Adamantanes;cyclic compounds;Adamantane derivatives
Mol File:4942-47-6.mol
1-Adamantaneacetic acid Chemical Properties
Melting point 134-137 °C (lit.)
Boiling point 270.73°C (rough estimate)
density 1.0086 (rough estimate)
refractive index 1.4949 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility Solubility in Methanol - almost transparency
form Crystalline Powder or Crystals
pka5.00±0.10(Predicted)
color White to off-white
BRN 641412
InChIKeyAOTQGWFNFTVXNQ-UHFFFAOYSA-N
CAS DataBase Reference4942-47-6(CAS DataBase Reference)
NIST Chemistry Reference1-Adamantaneacetic acid(4942-47-6)
Safety Information
Hazard Codes Xi,Xn,F
Risk Statements 36/37/38-15-10
Safety Statements 22-24/25-43-7/8
WGK Germany 3
TSCA Yes
HazardClass IRRITANT
HS Code 29162090
MSDS Information
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1-Adamantaneacetic acid English
ACROS English
SigmaAldrich English
ALFA English
1-Adamantaneacetic acid Usage And Synthesis
Chemical Propertieswhite to off-white crystalline powder or crystals
Uses1-Adamantaneacetic acid was used as an acylating agent in determining pharmacological characteristics of ten new analogues of bradykinin (Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg) that were modified in the N-terminal part of the molecule.
Biochem/physiol Actions1-Adamantaneacetic acid is an inhibitor of chorismate mutase-prephenate dehydrogenase (EC 1.3.1.12) from Escherichia coli K12 (strain JP 232).
Purification MethodsDissolve the acid in hot NaOH, treat with charcoal, filter and acidify. Collect the solid, wash it with H2O, dry and recrystallise it from MeOH. [Stetter et al. Chem Ber 92 1629 1959.] The acid chloride [2094-72-6] has M 168.7, m 51-54o, and b 135-136o/1mm. LACHRYMATORY.

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