6-히드록시피리딘-2-카르복시산

한글명:6-히드록시피리딘-2-카르복시산

카스 번호19621-92-2

상품명:6-Hydroxypicolinic acid

CBNumberCB3712566

분자식C6H5NO3

포뮬러 무게139.11

MOL 파일19621-92-2.mol

동의어(한글)

6-히드록시피리딘-2-카르복시산

6-하이드록시피고리산

화학적 성질

녹는점	270 °C (dec.) (lit.)
끓는 점	436.0±45.0 °C(Predicted)
밀도	1.451±0.06 g/cm3(Predicted)
저장 조건	Inert atmosphere,Room Temperature
산도 계수 (pKa)	3.29±0.20(Predicted)
물리적 상태	가루
색상	노란색에서 갈색으로
BRN	115842
InChIKey	VRCWSYYXUCKEED-UHFFFAOYSA-N
CAS 데이터베이스	19621-92-2(CAS DataBase Reference)

위험 및 안전 성명

위험품 표기

위험 카페고리 넘버

36/37/38

안전지침서

26-36

WGK 독일

위험 등급

IRRITANT

HS 번호

29333990

NFPA 704:

	0
2		0

그림문자(GHS)

6-히드록시피리딘-2-카르복시산 화학적 특성, 용도, 생산

화학적 성질
Light yellow Cryst
용도
6-Hydroxypyridine-2-carboxylic acid may be used in the preparation of ruthenium(II) complex, [RuH(CO)(6-OH-py-2-COO)(PPh₃)₂].
일반 설명
6-Hydroxypyridine-2-carboxylic acid (6HPA, 6-Hydroxypicolinic acid) is a picolinic acid derivative. It has been reported to exhibit enol-keto tautomerism. It is a chelating ligand exhibiting potential complexing ability (via N,O-chelation or N,O,O-chelation). Intramolecular proton transfer (IPT) in tautomeric forms of 6HPA has been investigated by density functional theory (DFT) calculations.
Synthesis
6-Hydroxypicolinic acid is prepared by the reaction of 2-Bromo-6-hydroxypyridine and Carbon Dioxide. The specific synthesis steps are as follows:
To a solution of 2-bromo-6-hydroxypyridine (0.76 g, 4.4 mmol,1.0 equiv.) in dry THF (20 mL) at 0 C was added a 2 M solution of -PrMgCl in THF (2.2 mL,4.4 mmol, 1.0 equiv.) during 5 min. The clear solution was stirred at that temperature for anadditional 5 min, and a 2.5 M solution of n-BuLi in hexanes (3.5 mL, 8.8 mmol, 2.0 equiv.) wasadded dropwise during 5min, while maintaining the temperature below 20 C. The resultingmixture was stirred at that temperature for 0.5 h, dry CO2 (0.20 g, 1.0 equiv.) was added to20 C. The resulting mixture was warmed to 20 C in 0.5 h and quenched with water (6 mL).After stirring the mixture below 20 C for 10 min, the phases were separated and the water phasewas extracted one additional time with ethyl acetate. The resulting suspension was allowed to reachroom temperature and fitered through a mbox0.5 1 cm pad of silica gel eluted with 10 mL of ethylacetate. The ?ltrate was concentrated and the residue was puri?ed by ash chromatography on silicagel (eluent: petroleum ether/ethyl acetate = 10:1) to afford product 3m as off-white solid, 0.56 g (yield: 93percent) , m.p.: 275–277 C. 1H-NMR (600 MHz, DMSO) 7.56 (dd, J = 8.9, 7.0 Hz, 1H), 6.97 (d, J = 6.8 Hz,1H), 6.65 (d, J = 9.0 Hz, 1H). 13C-NMR (151 MHz, DMSO) 163.28, 162.67, 140.51, 137.97, 123.88, 110.42.

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