1H-indazole-6-carboxylic acid

1H-indazole-6-carboxylic acid 구조식 이미지
카스 번호:
704-91-6
상품명:
1H-indazole-6-carboxylic acid
동의어(영문):
6-Carboxy-1H-indazole;INDAZOLE-6-CARBOXYLIC ACID;1H-Indazole-6-carboylic acid;1H-Indazol-6-carboxylic acid;1-H-indazole-6-carboxyle acid;1H-INDAZOLE-6-CARBOXYLIC ACID;6-(1H)INDAZOLE CARBOXYLIC ACID;1H-Indazole-6-carboxylic acid 97%;1H-Indazole-6-carboxylic acid, 97%+;1H-Indazole-6-carboxylic acid (7CI, 8CI, 9CI, ACI)
CBNumber:
CB3113514
분자식:
C8H6N2O2
포뮬러 무게:
162.15
MOL 파일:
704-91-6.mol

1H-indazole-6-carboxylic acid 속성

녹는점
302-307 °C
끓는 점
443.7±18.0 °C(Predicted)
밀도
1.506±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
산도 계수 (pKa)
4.01±0.30(Predicted)
물리적 상태
결정성 분말
색상
흰색에서 밝은 갈색까지
InChIKey
DNCVTVVLMRHJCJ-UHFFFAOYSA-N
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
WGK 독일 3
위험 등급 IRRITANT
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.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.

1H-indazole-6-carboxylic acid C화학적 특성, 용도, 생산

용도

1H-Indazole-6-carboxylic Acid is used as a reagent to synthesize azabicyclic aryl amides, which act as α7 nicotinic acetylcholine receptor agonists.

제조 방법

Synthesis of 1H-indazole-6-carboxylic acid, H2L3: MeL3Ac (1.0 g; 4.6 mmol) was dissolved in 40 mL THF, and this solution was added to a 40 mL aqueous solution of lithium hydroxide (5.0 g; 210 mmol). The resulting suspension was heated at reflux with vigorous stirring overnight, after which time the solution was concentrated under vacuum to remove the organic phase. The resulting solution was filtered, adjusted to pH 3 with conc. HCl, to precipitate the product as a pale brown solid, which was filtered, washed with water and dried under vacuum. Yield 315 mg, 43%. mp 292–296 °C (decomp);
δH (500 MHz, d6-DMSO): 7.67 (dd, 1H, J = 8.3, 1.0 Hz, H4 ), 7.85 (dd, 1H, J = 8.3, 0.8 Hz, H3 ), 8.15 (s, 1H, H6 ), 8.18 (d, 1H, J = 0.8 Hz, H2 ), 13.24 (br s, 2H, H1 & H5 ); δC (125 MHz, CD3OD): 114.1, 122.0, 122.6, 127.1, 130.6, 135.2, 141.4, 170.4; HRMS-ESI m/z: found: 163.0503; C8H7N2O2 requires: 163.0502 [M + H+ ]; ˉνmax/cm?1 (KBr): 3258 br, 2864 br, 2582 br, 1679 s, 1579 m, 1518 m, 1425 m, 1230 s, 1087 m, 954 s, 857 m, 762 m, 693 m.

1H-indazole-6-carboxylic acid 준비 용품 및 원자재

원자재

준비 용품


1H-indazole-6-carboxylic acid 공급 업체

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