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| | 4-TERT-BUTYL-2,6-DIFORMYLPHENOL Basic information |
| Product Name: | 4-TERT-BUTYL-2,6-DIFORMYLPHENOL | | Synonyms: | 5-(tert-Butyl)-2-hydroxybenzene-1,3-dicarboxaldehyde, 4-(tert-Butyl)-2,6-diformylphenol;5-(TERT-BUTYL)-2-HYDROXYISOPHTHALALDEHYDE;AKOS BC-1732;4-TERT-BUTYL-2,6-DIFORMYLPHENOL;5-(1,1-DIMETHYLETHYL)-2-HYDROXY-1,3-BENZENEDICARBOXALDEHYDE;4-tert-Butyl-2,6-diforMylphenol 96%;4-tert-Butyl-2,6-diformylphenol,5-(1,1-Dimethylethyl)-2-hydroxy-1,3-benzenedicarboxaldehyde;4-tert-Butyl-2,6-diformylphenol | | CAS: | 84501-28-0 | | MF: | C12H14O3 | | MW: | 206.24 | | EINECS: | | | Product Categories: | Aldehydes;Building Blocks;C10-C12;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks | | Mol File: | 84501-28-0.mol |  |
| | 4-TERT-BUTYL-2,6-DIFORMYLPHENOL Chemical Properties |
| Melting point | 99-103 °C(lit.) | | Boiling point | 267.8±40.0 °C(Predicted) | | density | 1.159±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | powder | | pka | 6.61±0.23(Predicted) | | color | yellow | | InChI | 1S/C12H14O3/c1-12(2,3)10-4-8(6-13)11(15)9(5-10)7-14/h4-7,15H,1-3H3 | | InChIKey | WQNTWZJPCLUXQC-UHFFFAOYSA-N | | SMILES | CC(C)(C)c1cc(C=O)c(O)c(C=O)c1 |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 2912490090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 4-TERT-BUTYL-2,6-DIFORMYLPHENOL Usage And Synthesis |
| Uses | 1. Used as a key intermediate for the production of a BODIPY chemodosimetric sensor for cyanide ions. 2. Used as a key intermediate for a Pro-ligand in bimetallic catalysis. | | General Description | 4-tert-Butyl-2,6-diformylphenol can be prepared from 4-tert-butylphenol and hexamethylenetetramine. | | Synthesis | The general procedure for the synthesis of 4-tert-butyl-2,6-formylphenol from (5-(tert-butyl)-2-hydroxy-1,3-phenyl)dimethanol was as follows: activated MnO2 (40 g) was added to CHCl3 (200 mL) in a 500 mL round-bottom flask. The mixture was heated under stirring to reflux for about 15 minutes, then powder of (5-(tert-butyl)-2-hydroxy-1,3-phenyl)dimethanol (5.0 g) was added slowly. After keeping the reaction at reflux for 8 hours, the reaction mixture was cooled to room temperature and filtered through a Brinell funnel. The solid residue was washed thoroughly with CHCl3 (40 mL x 5) until the filtrate was colorless. The filtrates were combined and concentrated using a rotary evaporator to give the yellow solid product 4-tert-butyl-2,6-formylphenol (3.8 g, 77% yield). | | References | [1] Synthetic Communications, 2000, vol. 30, # 9, p. 1555 - 1561
[2] Tetrahedron Letters, 2012, vol. 53, # 7, p. 804 - 807
[3] Bulletin of the Chemical Society of Japan, 1984, vol. 57, # 9, p. 2683 - 2684
[4] Chemische Berichte, 1994, vol. 127, # 3, p. 465 - 476
[5] Chemische Berichte, 1942, vol. 75, p. 363,366 |
| | 4-TERT-BUTYL-2,6-DIFORMYLPHENOL Preparation Products And Raw materials |
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