3-Pyridinecarboxaldehyde CAS 500-22-1
Introduction：Basic information about 3-Pyridinecarboxaldehyde CAS 500-22-1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Pyridinecarboxaldehyde Basic information
| Product Name: | 3-Pyridinecarboxaldehyde |
| Synonyms: | 3-Formylpyridine;3-Nicotinaldehyde;3-Pyridinaldehyde;3-Pyridinealdehyde;3-Pyridylaldehyde;3-Pyridylcarboxaldehyde;3-Pyridylcarboxaldehyde DEG;beta-Pyridinecarbonaldehyde |
| CAS: | 500-22-1 |
| MF: | C6H5NO |
| MW: | 107.11 |
| EINECS: | 207-900-4 |
| Product Categories: | Heterocyclic Compounds;Pyridine;Aldehydes;Building Blocks;C1 to C6;Carbonyl Compounds;Chemical Synthesis;Heterocyclic Building Blocks;Organic Building Blocks;Pyridines;bc0001;C6 |
| Mol File: | 500-22-1.mol |
3-Pyridinecarboxaldehyde Chemical Properties
| Melting point | 8°C |
| Boiling point | 78-81 °C/10 mmHg (lit.) |
| density | 1.141 g/mL at 20 °C (lit.) |
| vapor pressure | 0.3 hPa (20 °C) |
| refractive index | n |
| Fp | 140 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| form | liquid (clear) |
| pka | 3.43±0.10(Predicted) |
| Specific Gravity | 1.145 (20/4℃) |
| color | clear brown-yellow |
| PH | 5.4 (111g/l, H2O, 20℃) |
| Water Solubility | miscible |
| Sensitive | Air Sensitive |
| BRN | 105343 |
| Cosmetics Ingredients Functions | ANTIMICROBIAL |
| InChI | 1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H |
| InChIKey | QJZUKDFHGGYHMC-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1cccnc1 |
| LogP | 0.290 |
| CAS DataBase Reference | 500-22-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Pyridinecarboxaldehyde(500-22-1) |
| EPA Substance Registry System | 3-Pyridinecarboxaldehyde (500-22-1) |
Safety Information
| Hazard Codes | Xi,C,Xn |
| Risk Statements | 10-37/38-42/43-41-34-43-22-36/37/38 |
| Safety Statements | 26-39-45-36/37/39-23 |
| RIDADR | UN 1989 3/PG 3 |
| WGK Germany | 3 |
| RTECS | QS2980000 |
| F | 8-10-23 |
| Hazard Note | Irritant/Keep Cold/Air Sensitive |
| TSCA | TSCA listed |
| HazardClass | 3.2 |
| PackingGroup | III |
| HS Code | 29333999 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 3 Flam. Liq. 3 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |
| Toxicity | LD50 orally in Rabbit: 2355 mg/kg |
| Description | Pyridine-3-carbaldehyde, also known as nicotinaldehyde or 3-Pyridinecarboxaldehyde, belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group. 3-pyridinecarboxaldehyde is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Pyridine-3-carbaldehyde, an aldehyde containing a nitrogen atom, reacts faster than benzaldehyde with diethylzinc to afford enantioenriched 3-pyridyl alkanol in a reaction in which the same chiral catalyst, i.e., (1S,2R)-N, N-dibutylnorephedrine, is used. |
| Chemical Properties | clear yellow to light brown liquid |
| Uses | 3-Pyridinecarboxaldehyde is a substituted pyridine with niacin activity. 3-Pyridinecarboxaldehyde is a component of tobacco smoke. |
| Definition | ChEBI: A pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3. |
| Application | 3-Pyridinecarboxaldehyde is used as a pharmaceutical synthesis intermediate. It can be used in a coupling reaction to synthesise a novel dual inhibitor of thromboxane A2 synthase and 5-lipoxygenase, 5,7-dimethyl-6-hydroxy-2-methylamino-4-(3-pyridinylmethyl)benzothiazole (E3040). |
| Synthesis Reference(s) | Synthetic Communications, 21, p. 1777, 1991 DOI: 10.1080/00397919108021576 Tetrahedron, 32, p. 2549, 1976 DOI: 10.1016/0040-4020(76)88025-8 Tetrahedron Letters, 35, p. 8019, 1994 DOI: 10.1016/0040-4039(94)80038-3 |
| Purification Methods | Purified as for pyridine-2-aldehyde. [Beilstein 21 I 288, 21 III/IV 3517, 21/7 V 334.] |
3-Pyridinecarboxaldehyde Preparation Products And Raw materials
| Raw materials | Methanol-->Tetrahydrofuran-->N,N-Dimethylformamide-->Toluene-->n-Butyllithium-->3-Cyanopyridine-->acetonitrile-->3-Pyridyl bromide-->N-Methoxy-N-methylnicotinamide-->nicotinic anhydride-->N,N-DIETHYLNICOTINAMIDE-->3-(AMINOMETHYL)PYRIDINE-->Nicotinamide-->3-Pyridinemethanol-->Nicotinic acid |
| Preparation Products | 3-(pyridin-3-yl)propanal-->4-Pyridinepropanol-->PYRIDIN-3-YLMETHYL-HYDRAZINE-->3-Picolyl chloride hydrochloride-->Pymetrozine |
