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3-옥소-1,3-디하이드로이소벤조푸란-1-일포스폰산

3-옥소-1,3-디하이드로이소벤조푸란-1-일포스폰산 구조식 이미지

카스 번호:: 61260-15-9

한글명:: 3-옥소-1,3-디하이드로이소벤조푸란-1-일포스폰산

동의어(한글):: 3-옥소-1,3-디하이드로이소벤조푸란-1-일포스폰산

상품명:: 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid

동의어(영문):: Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate;3-dimethoxyphosphoryl-3H-2-benzofuran-1-one;Olapali impurity 3;(1,3-dihydro-3-oxo-1-isobenzofuranyl)phosphonate;3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid;3-oxo-1,3-Dihydroisobenzofuran-l-ylphosphonic acid;Dimethyl (3-oxo-1,3 dihydro-2-benzofur-1yl)phosphonate;Dimethyl(3-oxo-1,3dihydroisobenzfuran-1-yl) phosphonate;Dimethyl (1,3-dihydro-3-oxo-1-isobenzofuranyl)phosphonate;dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate

CBNumber:: CB22609834

분자식:: C10H11O5P

포뮬러 무게:: 242.17

MOL 파일:: 61260-15-9.mol

속성

안전

용도

공급 업체 189

3-옥소-1,3-디하이드로이소벤조푸란-1-일포스폰산 속성

녹는점: 97-99℃

끓는 점: 402.0±45.0 °C(Predicted)

밀도: 1.35

저장 조건: under inert gas (nitrogen or Argon) at 2-8°C

물리적 상태: 고체

물리적 상태: 단단한 모양

색상: 하얀색

InChI: InChI=1S/C10H11O5P/c1-13-16(12,14-2)10-8-6-4-3-5-7(8)9(11)15-10/h3-6,10H,1-2H3

InChIKey: KEKUNQAVGWOYDW-UHFFFAOYSA-N

SMILES: P(C1C2=C(C=CC=C2)C(=O)O1)(=O)(OC)OC

안전

위험 및 안전 성명
위험 및 사전주의 사항 (GHS)

HS 번호	2932990090

그림문자(GHS):

신호 어:

Warning

유해·위험 문구:

암호	유해·위험 문구	위험 등급	범주	신호 어	P- 코드
H315	피부에 자극을 일으킴	피부부식성 또는 자극성물질	구분 2	경고	P264, P280, P302+P352, P321,P332+P313, P362
H319	눈에 심한 자극을 일으킴	심한 눈 손상 또는 자극성 물질	구분 2A	경고	P264, P280, P305+P351+P338,P337+P313P
H335	호흡 자극성을 일으킬 수 있음	특정 표적장기 독성 - 1회 노출;호흡기계 자극	구분 3	경고

예방조치문구:

P280	보호장갑/보호의/보안경/안면보호구를 착용하시오.
P301+P312	삼켜서 불편함을 느끼면 의료기관(의사)의 진찰을 받으시오.

3-옥소-1,3-디하이드로이소벤조푸란-1-일포스폰산 C화학적 특성, 용도, 생산

용도

Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate is a reagent used in the synthesis of 4-[3-(4-Cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin-1-one, an inhibitor of both PARP-1 AND PARP-2 that shows standalone activity against BRCA1-deficient breast cancer cell lines.

Synthesis

Sodium methoxide (2.28 g,0.042 mol) was dissolved in methanol (40 mL) into a 150 mLround-bottom flask. To this solution, dimethyl hydrogen phosphite(4.8 mL, 0.049 mol) and 2-carboxybenzaldehyde (compound5, 5.00 g, 0.033 mol) were added by dripping at 0 °Cfor 30 min. Then the mixture was stirred at room temperaturefor 8 h.
After the reaction was completed, methanesulfonicacid (3.1 mL, 0.047 mol) was added dropwise and stirred for30 min. The solvent was removed under reduced pressure,following by adding 40 mol water.
The aqueous phase wasextracted with dichloromethane for three times, the combinedorganic phase was washed with water until neutral and driedwith anhydrous sodium sulfate. Dichloromethane was evaporatedunder reduced pressure to afford 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid(4.93 g, 99%)as white solid.
1H-NMR (500 MHz, DMSO-d6) δ: 3.62 (3H,d, J = 8 Hz), 3.86 (3H, d, J = 12 Hz), 6.36 (1H, d, J = 8 Hz),7.74-7.70 (2H, m), 7.91-7.88 (1H, m), 7.98-7.96 (1H, m).
Synthesis of 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid

3-옥소-1,3-디하이드로이소벤조푸란-1-일포스폰산 준비 용품 및 원자재

원자재

1(3H)-이소벤조푸라논,3-히드록시- 메틸2-요오도-3-메톡시벤조에이트 N,N-디에틸벤자미드 다이메틸 인산염 황산 메틸알콜 메틸산 나트륨 2-카르복시벤즈알데히드 다이메틸 히드로겐 포스피트

준비 용품

2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile

3-옥소-1,3-디하이드로이소벤조푸란-1-일포스폰산 공급 업체

글로벌( 189)공급 업체

공급자	전화	이메일	국가	제품 수	이점
PharmOrgSyn Laboratories Co., Ltd.	+86-021-38228826 +86-13916602830	sales@pharmorgsyn.cn	China	140	58
Capot Chemical Co.,Ltd.	+86-（0）57185586718 +86-13336195806	sales@capot.com	China	29791	60
Shanghai Daken Advanced Materials Co.,Ltd	+86-371-66670886	info@dakenam.com	China	18768	58
Beijing Cooperate Pharmaceutical Co.,Ltd	010-60279497	sales01@cooperate-pharm.com	CHINA	1803	55
Anqing Chico Pharmaceutical Co., Ltd.	15380796838	chloewu@chicopharm.cn	CHINA	340	58
career henan chemical co	+86-0371-86658258 +8613203830695	sales@coreychem.com	China	29881	58
SHANDONG ZHI SHANG CHEMICAL CO.LTD	+86 18953170293	sales@sdzschem.com	China	2930	58
Accela ChemBio Inc.	+1-858-6993322	info@accelachem.com	United States	17453	58
Standardpharm Co. Ltd.	86-714-3992388	overseasales1@yongstandards.com	United States	14332	58
Chongqing Chemdad Co., Ltd	+86-023-6139-8061 +86-86-13650506873	sales@chemdad.com	China	39894	58

3-옥소-1,3-디하이드로이소벤조푸란-1-일포스폰산 관련 검색:

시클로프로판카복산에틸에스테르 이소프로필브로마이드 피페라진 디하이드로클로라이드 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid 2-Fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzonitrile 1,3-DiMethyl 2-[4-(Methoxycarbonyl)-2-nitrophenyl]propanedioate tert-butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoyl)piperazine-1-carboxylate 2-Fluoro-5-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)benzonitrile 1-(CYCLOPROPANECARBONYL)PIPERAZINE 97 Piperazine, 1-(cyclopropylcarbonyl)-, Monohydrochloride Olaparib Olaparib Imp.2 Olaparib Metabolite M12 Olaparib Impurity 22 Olaparib impurity 1 3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid tert-Butyl 1-piperazinecarboxylate tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate