| Identification | Back Directory | [Name]
Benzocyclobutyl-1-carboxylic acid | [CAS]
14381-41-0 | [Synonyms]
1-CBCB
Bicyclo[4.2.0]oc
RARECHEM AL BO 1235
1-carboxyl benzocyclobutene
1-BENZOCYCLOBUTENECARBOXYLIC ACID
BENZOCYCLOBUTYL-1-CARBOXYLIC ACID
1-benzylcyclobutane-1-carboxylic acid
1-Benzocyclobutenecarboxylic acid 99%
1-Benzocyclobutenecarboxylic acid
7-bicyclo[4.2.0]octa-1,3,5-trienecarboxylic acid
Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
Bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid (6CI,7CI,8CI,9CI)
1-CBCB 1-Carboxyl benzocyclobutene | [Molecular Formula]
C9H8O2 | [MDL Number]
MFCD00001351 | [MOL File]
14381-41-0.mol | [Molecular Weight]
148.16 |
| Chemical Properties | Back Directory | [Melting point ]
75-77 °C (lit.) | [Boiling point ]
318.6±31.0 °C(Predicted) | [density ]
1.310±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Crystalline Powder or Powder | [pka]
4.18±0.20(Predicted) | [color ]
White to pale brown | [InChI]
InChI=1S/C9H8O2/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2,(H,10,11) | [InChIKey]
NYOXTUZNVYEODT-UHFFFAOYSA-N | [SMILES]
C12C(C(C(O)=O)C1)=CC=CC=2 |
| Hazard Information | Back Directory | [Uses]
1-Benzocyclobutenecarboxylic acid is a dynamic building block, capable of taking part in Diels-Alder reactions, and has been used to create large compounds such as cyclohexylmethylpiperidinyltriphenylpropioamide, a highly selective M3 antagonist. | [Preparation]
1-Benzocyclobutenecarboxylic acid is produced by rearrangement of an α-diazaindanone. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 80, p. 2257, 1958 DOI: 10.1021/ja01542a055
Tetrahedron Letters, 23, p. 3665, 1982 DOI: 10.1016/S0040-4039(00)88652-9 | [General Description]
1-Benzocyclobutenecarboxylic acid is also refered as bicyclo[4.2.0]octa-1,3,5-triene-8-carboxylic acid. | [Hazard]
1-Benzocyclobutenecarboxylic acid is irritating to the eyes and skin. Contact can cause skin irritation and severe eye irritation, and inhalation may cause respiratory irritation. |
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