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质量水平
检测方案
97%
形式
powder
mp
173-175 °C (lit.)
溶解性
methanol: soluble 100 mg/mL, clear to slightly hazy, colorless to very faintly brown(lit.)
SMILES字符串
[H]C(=O)c1cccc(c1)C(O)=O
InChI
1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)
InChI key
UHDNUPHSDMOGCR-UHFFFAOYSA-N
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一般描述
3-甲酰苯甲酸是一种极性芳香醛，常用于还原合成3-羟甲基苯甲酸。
应用
3-甲酰基苯甲酸已被用于合成：
- 通过Ugi 4中心3组分反应的双环顺式-2-氮杂环丁酮衍生物合成
- 带有会聚羟基的甾族超结构封端的卟啉
- 3-[（4-氨基-1,2-二氢-1-氧代-2-苯基-1,2,4-三唑[4,3-a]喹喔啉-6-基）氨基]甲基苯甲酸
警示用语：
Warning
危险声明
危险分类
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
dust mask type N95 (US), Eyeshields, Gloves
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Letters in Organic Chemistry, 1(3), 215-220 (2004)
Rational substrate and enzyme engineering of transketolase for aromatics
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Vittoria Colotta et al.
Bioorganic & medicinal chemistry, 11(24), 5509-5518 (2003-12-04)
In previous papers (Colotta, V. et al. Arch. Pharm. Pharm. Med. Chem. 1999, 332, 39. Colotta, V. et al. J. Med. Chem. 2000, 43, 1158) we reported the synthesis and binding affinity at bovine (b) A(1) and A(2A) and human
Suhman Chung et al.
Nature chemical biology, 5(6), 407-413 (2009-04-28)
The linking together of molecular fragments that bind to adjacent sites on an enzyme can lead to high-affinity inhibitors. Ideally, this strategy would use linkers that do not perturb the optimal binding geometries of the fragments and do not have
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