2-피리딘 메탄올
2-피리딜카비놀 · 2-피리딘메탄올 · 2-하이드록시메틸피리딘 · 2-PYRIDINEMETHANOL · 2-Pyridine · (S)-Tryptophan Methyl ester hydrochloride · Piconol · PYRIDINE-2-METHANOL
식별자 및 물리적 특성
| CAS No. | 586-98-1 |
|---|---|
| 분자식 | C6H7NO |
| 평균 분자량 | 109.13 g/mol |
| 단동위원소 질량 | 109.05276384 g/mol |
| SMILES | OCc1ccccn1 |
| InChIKey | SHNUBALDGXWUJI-UHFFFAOYSA-N |
| PubChem CID | 11474 |
| ChEMBL | CHEMBL2103981 |
| ChEBI | CHEBI:195070 |
| EC No. | 209-592-7 |
| DTXSID | DTXSID8046531 |
| 현지명 | 2-피리딘 메탄올 |
화학 및 물리적 성질
| XLogP | 0.1 |
|---|---|
| 극성 표면적 | 33.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 65.5 |
| 물질 분류 | Nitrogen Compounds -> Pyridines |
| SpringerMaterials Properties | Surface tension |
| LogP(분배 계수) | 0.06 |
| 증기압 | 0.02 [mmHg]3.47Pa at 25℃ |
| Physical Description | Clear hygroscopic liquid[Sigma-Aldrich MSDS] |
| 녹는점 | 5 °C |
| 끓는 점 | 112-113 °C/16 mmHg (lit.) |
| 밀도 | 1.131 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.543(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 물과 섞임 |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 13.48±0.10(Predicted) |
| 색상 | 무색 내지 황색 또는 갈색의 투명한 |
| 비중 | 1.131 |
| pH | 6-8 (100g/l, H2O, 20℃) |
| 냄새 | 피리딘 냄새 |
| 용해도 | 혼용 가능 |
| BRN | 107849 |
| InChI | 1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2 |
| InChIKey | SHNUBALDGXWUJI-UHFFFAOYSA-N |
| SMILES | OCc1ccccn1 |
| LogP(분배 계수) | 0.11 |
| NIST | Piconol(586-98-1) |
화학적 성질
CLEAR COLORLESS TO YELLOW OR BROWN LIQUID
안전 및 규제
| GHS 분류 | WarningH302 (87.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 57 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 12-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/199222-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Intravenous LD50 (mouse) = 1,000 mg/kg[RTECS] A skin and strong eye irritantHarmful by ingestion[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (87.7%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | UT4689000 |
| 관세 코드 | 29333999 |
| 위험 문구(R) | 36/37/38-22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36-37/39 |
| 위험 등급 | IRRITANT, HYGROSCOPIC, KEEP COLDAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| F 고인화성물질 | 3-8 |
| 위험 참고 사항 | Irritant/Keep Cold/Hygroscopic |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
decongestant
제조 및 합성 방법
제조 방법
The preparation of 2-(Hydroxymethyl)pyridine is as follows:NaOH (0.5 g, 12.5 mmol), Al2O3 (2.0 g, 19.6 mmol), aldehyde 1f-g (2 mmol) and H2O (400 μL) were grinded in a mortar. Next, the paste were placed in a glass 10 mL pressure vials and reaction was carried out in microwave reactor: standard mode (200 W), 100 °C, 2 min. After that, reaction mixture was extracted with DCM (2 × 20 mL). Organic layer was evaporated under reduce pressure yielding 2f-g. Solid residue was washed by water (2 × 15 mL). Aqueous phase was acidify with 1N HCl to pH 5.5 and centrifuged. After that aqueous layer was pour down and precipitate was lyophilisated. Products 3f-g were obtained as white solids.