4-히드록시쿠마린
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4-히드록시쿠마린 속성
- 녹는점
- 211-213 °C (lit.)
- 끓는 점
- 228.82°C (rough estimate)
- 밀도
- 1.1734 (rough estimate)
- 증기압
- 0.02Pa at 25℃
- 굴절률
- 1.4500 (estimate)
- 저장 조건
- Store below +30°C.
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 4.50±1.00(Predicted)
- 색상
- 무색투명~미황색
- 수용성
- 실질적으로 불용성
- BRN
- 129768
- InChIKey
- VXIXUWQIVKSKSA-UHFFFAOYSA-N
- LogP
- 1.6-2.31 at 21.2℃
- CAS 데이터베이스
- 1076-38-6(CAS DataBase Reference)
안전
- 위험 및 안전 성명
- 위험 및 사전주의 사항 (GHS)
| 위험품 표기 | Xn,Xi | ||
|---|---|---|---|
| 위험 카페고리 넘버 | 22-36/37/38 | ||
| 안전지침서 | 26-36 | ||
| WGK 독일 | 3 | ||
| RTECS 번호 | DJ3100000 | ||
| 위험 참고 사항 | Irritant | ||
| TSCA | Yes | ||
| HS 번호 | 29322980 | ||
| 기존화학 물질 | KE-20402 |
4-히드록시쿠마린 C화학적 특성, 용도, 생산
화학적 성질
Yellow powder or chunks or Slightly yellow needle-like crystals. freely soluble in ethanol, ether and hot water. brown in color with ferric chloride.용도
4-Hydroxycoumarin may be regarded as a phenylenetetronic acid , and like tetronic acid forms condensation products with aldehydes.
Synthesis of biscoumarin derivatives by the reaction of aldehydes and 4-hydroxycoumarin using ruthenium(III) chloride hydrate as a versatile homogeneous catalyst.
용도
4-Hydroxycoumarin is a plant derived antioxidant, protecting against lipid peroxidation, as well as a potential inhibitor of HIV-1 Integrase. 4-Hydroxycoumarins are a very important class of biologically active drugs which are widely used as anticoagulants-Warfarin and Acenocoumarol.정의
ChEBI: 4-hydroxycoumarin is a hydroxycoumarin that is coumarin in which the hydrogen at position 4 is replaced by a hydroxy group. It is a conjugate acid of a 4-hydroxycoumarin(1-).Synthesis
4-Hydroxycoumarin is prepared by the reaction of o-hydroxyacetophenone and Diethyl carbonate. The steps are as follows:General procedure: To a stirred mixture (1.15 mmol) and sodium hydride (138 mg, 5.75 mmol) in 5 ml dry toluene, a solution of the diethyl carbonate (1.15 mmol) in dry toluene was dropped. The mixture was reacted at 0°C for 30 min, then heated to reflux and reacted for another 4 h. The reaction mixture was quenched with water (20 mL) at ice bath and neutralized to pH 7 with 2 N HCl. The precipitate was filtered, washed with cold water and dried to get 6a-f. 1.2.1.1. 4-Hydroxy-2H-chromen-2-one (6a) White solidyield: 95; 1H NMR (600 MHz, DMSO-d6) δ 12.53 (s, 1H), 7.83 (d, J = 7.2 Hz, 1H), 7.65 (d, J = 7.8 Hz, 1H), 7.38-7.34 (m, 2H), 5.60 (s, 1H).
Purification Methods
Crystallise 4-hydroxycoumarin from water and dry it in a vacuum desiccator over pKEst Sicapent. [Beilstein 18/1 V 378.]4-히드록시쿠마린 준비 용품 및 원자재
원자재
수소화나트륨
아세트산 나트륨
Acetoxyacetic acid
황산 나트륨
경 무기 기름
ACETYLSALICYLIC ACID METHYL ESTER
벤젠
초산에틸
염산
수산화나트륨
히드록시아세토페논
디에틸 카보네이트
2-아세톡시벤조일 클로라이드
준비 용품
4-히드록시쿠마린 공급 업체
글로벌( 627)공급 업체
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| Fluoropharm Co., Ltd. | +86-0571-85586753; +8613336034509 |
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