2,5-디클로로-4,6-디메틸니코티노니트릴

2,5-디클로로-4,6-디메틸니코티노니트릴
2,5-디클로로-4,6-디메틸니코티노니트릴 구조식 이미지
카스 번호:
91591-63-8
한글명:
2,5-디클로로-4,6-디메틸니코티노니트릴
동의어(한글):
2,5-디클로로-4,6-디메틸니코티노니트릴
상품명:
2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE
동의어(영문):
2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE;3-Cyano-2,5-dichloro-4,6-dimethylpyridine;2,5-Dichloro-4,6-dimethylnicotinonitrile 95+%;2,5-DICHLORO-4,6-DIMETHYLPYRIDINE-3-CARBONITRILE;2,5-Dichloro-4,6-diMethyl-3-pyridinecarbonitrile;3-Pyridinecarbonitrile,2,5-dichloro-4,6-dimethyl-;2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile, 3-Cyano-2,5-dichloro-4,6-dimethylpyridine
CBNumber:
CB5352041
분자식:
C8H6Cl2N2
포뮬러 무게:
201.05
MOL 파일:
91591-63-8.mol

2,5-디클로로-4,6-디메틸니코티노니트릴 속성

녹는점
82 °C
끓는 점
304.6±37.0 °C(Predicted)
밀도
1.36
저장 조건
under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태
고체
물리적 상태
단단한 모양
산도 계수 (pKa)
-2.79±0.10(Predicted)
색상
하얀색
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xi,Xn
위험 카페고리 넘버 20/21/22-36/37/38
안전지침서 26-36/37/39
위험 등급 IRRITANT
HS 번호 2933399990
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H302 삼키면 유해함 급성 독성 물질 - 경구 구분 4 경고 GHS hazard pictograms P264, P270, P301+P312, P330, P501
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.

2,5-디클로로-4,6-디메틸니코티노니트릴 C화학적 특성, 용도, 생산

용도

2,5-Dichloro-4,6-dimethyl-3-pyridinecarbonitrile, can be used for the synthesis of a selective muscarinic receptor 4 (M4) positive allosteric modulator called ML253, which is a potent and brain penetrant compound that is active in a preclinical model of schizophrenia.

Synthesis

1.png
Phosphoryl chloride (973.2g), tetramethylammonium chloride (67.3g) and compound of Preparation 2 (227.1g) were added to dichloromethane (500g). The suspension was heated to 85°C and stirred for 5 hours. Excess of phosphoryl chloride was removed by distillation in vacuo. The reaction mixture was cooled below 30 °C and diluted with dichloromethane. The resulting solution was added to water (1350g) at room temperature and stirred for 30 minutes. The lower organic phase was separate and the aqueous phase extracted with dichloromethane. The organic phases were combined, washed with water and then treated with charcoal. The charcoal was filtered and a solvent swap to heptane was performed by distillation at atmospheric pressure. The solution was filtered at 50 °C and then cooled to 30 °C. On further cooling to 0°C crystals were obtained. These were isolated by filtration, washed twice with heptane. After drying at 50°C the desired product was obtained typically at 88-91 % . The above process was repeated with a reduction in dichloromethane during crystallisation and adding some methanol. The resulting plate-like crystals were more easily transferred for subsequent use.

2,5-디클로로-4,6-디메틸니코티노니트릴 준비 용품 및 원자재

원자재

준비 용품


2,5-디클로로-4,6-디메틸니코티노니트릴 공급 업체

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Shandong chuangyingchemical Co., Ltd.
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