1H-indazole-7-carboxylic acid

1H-indazole-7-carboxylic acid 구조식 이미지
카스 번호:
677304-69-7
상품명:
1H-indazole-7-carboxylic acid
동의어(영문):
7-Carboxy-1H-indazole;CgH6N2O2;Niraparib Intermediate4;7-INDAZOLE CARBOXYLIC ACID;7-INDAZOLE CARBOXYLLIC ACID;1H-Indazole-7-carboxylic aid;1H-Indazol-7-carboxylic acid;1H-INDAZOLE-7-CARBOXYLIC ACID;7-(1H)Indazole carboxylic acid;677304-69-7
CBNumber:
CB9197275
분자식:
C8H6N2O2
포뮬러 무게:
162.15
MOL 파일:
677304-69-7.mol
MSDS 파일:
SDS

1H-indazole-7-carboxylic acid 속성

녹는점
ca 240℃
끓는 점
443.7±18.0 °C(Predicted)
밀도
1.506±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
결정성 분말
산도 계수 (pKa)
3.71±0.10(Predicted)
색상
흰색에서 노란색으로
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
HS 번호 29339980
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고 GHS hazard pictograms
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P304+P340 흡입하면 신선한 공기가 있는 곳으로 옮기고 호흡하기 쉬운 자세로 안정을 취하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
P405 밀봉하여 저장하시오.
NFPA 704
1
2 0

1H-indazole-7-carboxylic acid C화학적 특성, 용도, 생산

용도

1H-indazole-7-carboxylic Acid is an inhibitor of nitric oxide synthases.

제조 방법

Synthesis of 1H-indazole-7-carboxylic acid, H2L4: To 60 mL anhydrous toluene under a nitrogen atmosphere was added methyl-2-amino-3-methylbenzoate (1.8 g, 11 mmol) and KOAc (560 mg, 5.7 mmol), and the mixture heated to reflux, at which time acetic anhydride (3.2 mL, 34 mmol) was added and the mixture stirred at reflux for 10 min. Isoamyl nitrite (2.3 mL, 18 mmol) was added over 30 min and the mixture refluxed overnight. On cooling, the mixture was filtered and evaporated to dryness to give 1.6 g of a pale brown solid, which analysed for methyl 1H-indazole-7-carboxylate. This material was taken up in 40 mL THF, added to a solution of LiOH (5 g, 210 mmol) in 40 mL water, and heated at reflux for 48 h. On cooling, the mixture was concentrated on a rotary evaporator and the resulting aqueous phase filtered and adjusted to pH 4 with dilute HCl, to precipitate the product, which was filtered, washed with water and dried under vacuum. Yield 810 mg, 45%; mp 218–222 °C (decomp);
δH (500 MHz, d6-DMSO): 7.23 (t, 1H, J = 7.5 Hz, H4 ), 7.97 (dd, 1H, J = 7.5, 1.0 Hz, H3 ), 8.06 (dd, 1H, J = 7.8, 0.8 Hz, H5 ), 8.21 (s, 1H, H2 ), 13.1 (br s, 2H, H1 & H6 ); δc (125 MHz, d6-DMSO): 113.7, 120.1, 124.6, 126.5, 129.0, 134.3, 138.0, 167.0; HRMS-ESI m/z: found: 163.0503; C8H7N2O2 requires: 163.0502 [M + H+ ]; ˉνmax/cm?1 (KBr): 3316 s br, 1700 s, 1619 m, 1592 m, 1509 m, 1285 s, 1201 m, 1145 m, 1078 m, 1056 w, 943 m, 858 s, 745 s, 638 m, 601 m.

1H-indazole-7-carboxylic acid 준비 용품 및 원자재

원자재

준비 용품


1H-indazole-7-carboxylic acid 공급 업체

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info@accelachem.com United States 19965 58

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