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3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid

3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid 구조식 이미지

카스 번호:: 119736-16-2

상품명:: 3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid

동의어(영문):: BPCA;Baloxavir Impurity 31;Baloxavir Marboxil Impurity 2;4-oxo-3-phenylmethoxypyran-2-carboxylic acid;3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid;4-Oxo-3-(benzyloxy)-4H-pyran-2-carboxylic acid;Pinacol 1 - (1-ethoxyethyl) - 4-pyrazole borate;4-Oxo-3-(phenylmethoxy)-4H-pyran-2-carboxylic acid;4H-Pyran-2-carboxylic acid, 4-oxo-3-(phenylmethoxy)-;3-(Benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid, 95+%

CBNumber:: CB42718404

분자식:: C13H10O5

포뮬러 무게:: 246.22

MOL 파일:: 119736-16-2.mol

속성

안전

용도

공급 업체 256

3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid 속성

끓는 점: 487.5±45.0 °C(Predicted)

밀도: 1.39±0.1 g/cm3(Predicted)

저장 조건: 2-8°C

산도 계수 (pKa): 2.00±0.20(Predicted)

물리적 상태: 고체

물리적 상태: 단단한 모양

색상: 하얀색

InChI: InChI=1S/C13H10O5/c14-10-6-7-17-12(13(15)16)11(10)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)

InChIKey: KJSJBKBZMGSIPT-UHFFFAOYSA-N

SMILES: C1(C(O)=O)OC=CC(=O)C=1OCC1=CC=CC=C1

안전

3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid C화학적 특성, 용도, 생산

용도

There are a variety of preclinical, clinical, and marketed new drugs that contain 3-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid fragments. As shown in the figure below, several types of drug molecules, as well as the marketed drugs such as dulutevir (GSK1349572) and baloxavir (Baloxavir) contain this important structural fragment.

Synthesis

Add 2-(hydroxymethyl)-3-(benzyloxy)-4H-pyran-4-one (Compound IV) 39.8Kg, dichloromethane (340L) and water (170L) to the reaction kettle to start stirring. Then add sodium bicarbonate (77Kg), sodium bromide (1.6Kg) and 2,2,6,6-tetramethylpiperidine-nitrogen-oxide (TEMPO) (2.3Kg), cool to 5℃, drop Add 10% sodium hypochlorite (340Kg). After the dropwise addition, stir at 5°C for 1 hour. The reaction is completed. Add 30% aqueous sodium thiosulfate solution (242L) and stir for 1 h. Add concentrated hydrochloric acid to adjust pH=4, separate the organic phase, extract the aqueous phase twice with dichloromethane (120L), combine the organic phases, and concentrate under reduced pressure to obtain the crude product. The crude product was recrystallized from acetonitrile to obtain 3-(benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid (Compound VI) 32.4Kg, purity 99%, yield 77%. LC-MS: [M+H] + = 247.06, [M] + = 245.05; 1 H NMR (DMSO-d 6 ) δ8.00 (d, J = 5.6 Hz, 1H), 7.17 (s, 5H), 6.34 (d, J = 5.7 Hz, 1H), 4.91 (s, 2H), 2.30 (s, 1H).

3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid 준비 용품 및 원자재

원자재

준비 용품

ethyl 3-(benzyloxy)-4-oxo-4H-pyran-2-carboxylate Methyl 3-(benzyloxy)-1-(2,2-dihydroxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate (4R,12aS)-7-(benzyloxy)-4-Methyl-3,4-dihydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-6,8(12H,12aH)-dione

3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid 공급 업체

글로벌( 256)공급 업체

공급자	전화	이메일	국가	제품 수	이점
Shanghai Rochi Pharmaceutical Co.,Ltd.	21-38751876 +8615000076078	info@rochipharma.com	China	431	58
Anhui Zhongda Biotechnology Co., Ltd	+8615689548120	linda@zhongda-biotech.com	China	204	58
Hebei Yanxi Chemical Co., Ltd.	+8617531190177	peter@yan-xi.com	China	5993	58
Shandong Huisheng Import & Export Co., Ltd.	+86-13176845580 +86-13176845580	da@zhongda-biotech.com	China	248	58
Anhui Zhongda Biotechnology Co., Ltd	+8619956560829	justine@zhongda-biotech.com	China	300	58
Hebei Xinsheng New Material Technology Co., LTD.	+86-16632316109	xinshengkeji@xsmaterial.com	China	1100	58
Anhui Ruihan Technology Co., Ltd	+8617756083858	daisy@anhuiruihan.com	China	994	58
Capot Chemical Co.,Ltd.	571-85586718 +8613336195806	sales@capotchem.com	China	29797	60
Shanghai Daken Advanced Materials Co.,Ltd	+86-371-66670886	info@dakenam.com	China	15928	58
Beijing Cooperate Pharmaceutical Co.,Ltd	010-60279497	sales01@cooperate-pharm.com	CHINA	1811	55