2-(Diphenylphosphino)benzoic Acid - CAS 17261-28-8
Catalog: |
BB012838 |
Product Name: |
2-(Diphenylphosphino)benzoic Acid |
CAS: |
17261-28-8 |
Synonyms: |
2-diphenylphosphinobenzoic acid; 2-diphenylphosphanylbenzoic acid |
IUPAC Name: | 2-diphenylphosphanylbenzoic acid |
Description: | 2-(Diphenylphosphino)benzoic Acid (CAS# 17261-28-8) is used in small molecule control of protein function through staudinger reduction. |
Molecular Weight: | 306.30 |
Molecular Formula: | C19H15O2P |
Canonical SMILES: | C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O |
InChI: | InChI=1S/C19H15O2P/c20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,20,21) |
InChI Key: | UYRPRYSDOVYCOU-UHFFFAOYSA-N |
Boiling Point: | 451 °C at 760 mmHg |
Melting Point: | 174-181 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Appearance: | Light orange to yellow to green powder to crystal |
MDL: | MFCD00674024 |
LogP: | 3.14300 |
GHS Hazard Statement: | H302 (11.76%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112538092-A | Preparation method of chiral Trost ligand | 20210219 |
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PMID | Publication Date | Title | Journal |
21887831 | 20111010 | Stereoselective synthesis of trisubstituted olefins by a directed allylic substitution strategy | Chemistry (Weinheim an der Bergstrasse, Germany) |
21898610 | 20111010 | Stereoselective and diversity-oriented synthesis of trisubstituted allylic alcohols and amines | Chemistry (Weinheim an der Bergstrasse, Germany) |
17963482 | 20071026 | Electronic differentiation competes with transition state sensitivity in palladium-catalyzed allylic substitutions | Beilstein journal of organic chemistry |
17299645 | 20070121 | Ruthenium-catalysed linear-selective allylic alkylation of allyl acetates | Chemical communications (Cambridge, England) |
17042475 | 20061001 | Predicting the stereochemistry of diphenylphosphino benzoic acid (DPPBA)-based palladium-catalyzed asymmetric allylic alkylation reactions: a working model | Accounts of chemical research |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.08096671 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.08096671 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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