Biphenyl-2-carboxaldehyde - CAS 1203-68-5
Catalog: |
BB004855 |
Product Name: |
Biphenyl-2-carboxaldehyde |
CAS: |
1203-68-5 |
Synonyms: |
2-phenylbenzaldehyde |
IUPAC Name: | 2-phenylbenzaldehyde |
Description: | Biphenyl-2-carboxaldehyde (CAS# 1203-68-5) is a reactant used in the preparation of imidazoquinoline derivatives, a class of microsomal prostaglandin E2 synthase-1 inhibitors. 2-Formyl-1,1'-biphenyl is also used in the preparation of phenoxybenzylamino carboline derivatives as potential antitumor drugs targeting α-tubulin. |
Molecular Weight: | 182.22 |
Molecular Formula: | C13H10O |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC=CC=C2C=O |
InChI: | InChI=1S/C13H10O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H |
InChI Key: | LCRCBXLHWTVPEQ-UHFFFAOYSA-N |
Boiling Point: | 91-92 °C (0.15 mmHg) |
Density: | 1.13 g/cm3 |
MDL: | MFCD01740431 |
LogP: | 3.16610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22411157 | 20120428 | Enantioselective synthesis of fluorene derivatives by chiral N-triflyl phosphoramide catalyzed double Friedel-Crafts alkylation reaction | Organic & biomolecular chemistry |
15265487 | 20040815 | Potent histone deacetylase inhibitors: N-hydroxybenzamides with antitumor activities | Bioorganic & medicinal chemistry |
15110838 | 20040515 | ERbeta ligands. Part 2: Synthesis and structure-activity relationships of a series of 4-hydroxy-biphenyl-carbaldehyde oxime derivatives | Bioorganic & medicinal chemistry |
14711308 | 20040115 | Diflunisal analogues stabilize the native state of transthyretin. Potent inhibition of amyloidogenesis | Journal of medicinal chemistry |
12027636 | 20020530 | Highly enhanced enantioselectivity in the memory of chirality via acyliminium ions | Organic letters |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.073164938 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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