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2-氯-6-甲氧基-3-吡啶羧醛 | 95652-80-5

2-氯-6-甲氧基-3-吡啶羧醛
2-Chloro-6-methoxynicotinaldehyde
95652-80-5
C7H6ClNO2
171.581040859222
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-氯-6-甲氧基-3-吡啶羧醛结构式
名称和标识符
MDL MFCD10697549
InChIKey QXHZQUBXMXEKMX-UHFFFAOYSA-N
Inchi 1S/C7H6ClNO2/c1-11-6-3-2-5(4-10)7(8)9-6/h2-4H,1H3
SMILES O=CC1C(Cl)=NC(OC)=CC=1
别名信息
- 中文别名 -
  • 2-氯-6-甲氧基烟碱醛
  • 2-氯-6-甲氧基-3-吡啶羧醛
- 英文别名 -
  • 2-chloro-6-methoxy-3-Pyridinecarboxaldehyde
  • 2-Chloro-6-methoxynicotinaldehyde
  • 2-Chloro-6-methoxynicotildehyde
  • 2-chloro-6-methoxypyridine-3-carbaldehyde
  • 2-chloro-3-formyl-6-methoxypyridine
  • 2-chloro-6-methoxy-pyridine-3-carbaldehyde
  • QXHZQUBXMXEKMX-UHFFFAOYSA-N
  • 6514AC
  • AB59889
  • BB 0261441
  • 3-Pyridinecarboxaldehyde,2-chloro-6-methoxy-
  • 3-Pyridinecarboxaldehyde, 2-chloro-6-methoxy-
  • 2-Chloro-6-methoxy-3-pyridinecarboxaldehyde (ACI)
  • 2-Chloro-6-methoxypyridine-3-carbaldehyde
物化性质
实验特性
LogP 1.55610
PSA 39.19000
计算特性
精确分子量 171.00900
氢键供体数量 0
氢键受体数量 3
可旋转化学键数量 2
重原子数量 11
复杂度 142
拓扑分子极性表面积 39.2
海关数据
海关编码 2933399090
海关数据

中国海关编码:

2933399090

概述:

2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Synthesis and bioevaluation of N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-amines as tubulin polymerization inhibitors with anti-angiogenic effects
Hao, Shu-Yi; Qi, Zhi-Yuan; Wang, Shuai; Wang, Xing-Rong; Chen, Shi-Wu, Bioorganic & Medicinal Chemistry, 2021, 31,

合成路线:1 步

反应条件:
参考文献:
Practical Total Syntheses of Acromelic Acids A and B
Ouchi, Hitoshi; Asahina, Aya; Asakawa, Tomohiro; Inai, Makoto; Hamashima, Yoshitaka; et al, Organic Letters, 2014, 16(7), 1980-1983

合成路线:1 步

反应条件:
参考文献:
Transformations of trichloromethyl groups during reactions of 3-trichloromethylpyridines with methoxide
Dainter, Ronald S.; Jackson, Tracey; Omar, Abdirahman H. H.; Suschitzky, Hans; Wakefield, Basil J.; et al, Journal of the Chemical Society, 1989, (2), 283-7

合成路线:1 步

反应条件:
参考文献:
Preparation of oxazolone compounds as inhibitors of casein kinase 1δ and 1ε
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Compounds for treating spinal muscular atrophy
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Practical total syntheses of acromelic acids A and B
Inai, Makoto; Ouchi, Hitoshi; Asahina, Aya; Asakawa, Tomohiro; Hamashima, Yoshitaka; et al, Chemical & Pharmaceutical Bulletin, 2016, 64(7), 723-732

合成路线:1 步

参考文献:
Abnormal nucleophilic substitution of 3-trichloromethylpyridines by methoxide
Dainter, Ronald S.; Suschitzky, Hans; Wakefield, Basil J., Tetrahedron Letters, 1984, 25(49), 5693-6

合成路线:1 步

参考文献:
Phenyllithium: novel metalating agent for pyridines
Mallet, Marc, Journal of Organometallic Chemistry, 1991, 406(1-2), 49-56
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