80935-77-9 (2,6-萘啶-1(2H)-酮,2,6-naphthyridin-1-ol)

快速询单

结构式：

2,6-萘啶-1(2H)-酮MOL文件

CAS号：

80935-77-9

中文名称：

2,6-萘啶-1(2H)-酮

英文名称：

2,6-naphthyridin-1-ol

分子式：

C₈H₆N₂O

分子量：

146.14604139328

2,6-萘啶-1(2H)-酮(80935-77-9)名称与标识符

名称

中文别名：

2,6-萘啶-1(2H)-酮;

英文别名：

2,6-Naphthyridin-1(2H)-one;2H-[2,6]Naphthyridin-1-one;2H-2,6-naphthyridin-1-one;2,6-naphthyridin-1-ol;1,2-Dihydro-2,6-naphthyridin-1-one;2,6-Naphthyridine-1(2H)-one;AKOS037875201;1-Hydroxy-2,6-naphthyridine;80935-77-9;MFCD06762736;AC-907/34119042;J-507529;SCHEMBL243725;EN300-191080;DTXSID70355852;2,6-naphthyridin-1 (2H)-one;[2,6]naphthyridin-1-ol;CHEMBL3769601;AS-38554;BDBM50150022;AKOS006352029;SY007173;AB29154;CS-W019819;XVHNGLQDZFUCKO-UHFFFAOYSA-N;

标识符

MDL：

MFCD14586354

InChIKey：

XVHNGLQDZFUCKO-UHFFFAOYSA-N

Inchi：

1S/C8H6N2O/c11-8-7-2-3-9-5-6(7)1-4-10-8/h1-5H,(H,10,11)

SMILES：

O=C1C2C(=CN=CC=2)C=CN1

2,6-萘啶-1(2H)-酮(80935-77-9)物化性质

实验特性

LogP : 0.92310
PSA : 45.75000
折射率 : 1.603
沸点 : 425.594°C at 760 mmHg
熔点 : No data available
蒸气压 : No data available
闪点 : 211.192°C
颜色与性状 : No data avaiable
密度 : 1.267

计算特性

精确分子量 : 146.04800
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 146.048012819g/mol
重原子数量 : 11
复杂度 : 200
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.3
拓扑分子极性表面积 : 42Å²

2,6-萘啶-1(2H)-酮(80935-77-9)安全信息

2,6-萘啶-1(2H)-酮(80935-77-9)海关数据

海关编码：

2933990090

海关数据：

中国海关编码：

2933990090

概述：

2933990090. 其他仅含氮杂原子的杂环化合物. 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：

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,6-萘啶-1(2H)-酮(80935-77-9)推荐厂家更多厂家(26)

公司名称	手机号/电话	联系人	QQ	询单
苏州洪创医药科技有限公司	18151128828	张经理	2506817824	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
上海甄准生物科技有限公司	13816009161 021-68920155	姜经理13816009161	3001086693	询单
武汉鑫伟烨化工有限公司	18502781673 027-18502781673	张经理	359501377	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单

2,6-萘啶-1(2H)-酮(80935-77-9)合成路线

合成路线：1 步

601514-61-8

_60%

80935-77-9

反应条件：

1.1 Reagents: Hydrogen bromide Solvents: Ethanol , Water ; overnight, rt → reflux
1.2 Reagents: Sodium carbonate Solvents: Water

参考文献：

Discovery and synthesis of 6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepin-5-one-based novel chemotype CCR2 antagonists via scaffold hopping strategy

Qin, Li-Huai; et al, Bioorganic & Medicinal Chemistry, 2018, 26(12), 3559-3572

合成路线：1 步

80935-76-8

_40%

80935-77-9

反应条件：

1.1 Reagents: Hydrogen bromide Solvents: Ethanol , Water ; 16 h, reflux

参考文献：

Discovery of potent, non-carbonyl inhibitors of fatty acid amide hydrolase (FAAH)

Gowlugari, Sumithra; et al, MedChemComm, 2012, 3(10), 1258-1263

合成路线：1 步

97308-58-2

80935-77-9

反应条件：

1.1 Reagents: p-Toluenesulfonic acid Solvents: Benzene

参考文献：

Condensed heteroaromatic ring systems. III. Synthesis of naphthyridine derivatives by cyclization of ethynylpyridinecarboxamides

Sakamoto, Takao; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(2), 626-33

合成路线：2 步

7584-05-6

4637-24-5

80935-77-9

反应条件：

1.1 Solvents: Dimethylformamide ; overnight, rt → reflux; reflux → rt; overnight, rt → reflux; reflux → rt; overnight, rt → reflux
2.1 Reagents: Hydrogen bromide Solvents: Ethanol , Water ; overnight, rt → reflux
2.2 Reagents: Sodium carbonate Solvents: Water

参考文献：

Discovery and synthesis of 6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepin-5-one-based novel chemotype CCR2 antagonists via scaffold hopping strategy

Qin, Li-Huai; et al, Bioorganic & Medicinal Chemistry, 2018, 26(12), 3559-3572

合成路线：2 步

7584-05-6

4637-24-5

80935-77-9

反应条件：

1.1 Reagents: Pyrrolidine Solvents: Dimethylformamide ; 16 h, 130 °C
2.1 Reagents: Hydrogen bromide Solvents: Ethanol , Water ; 16 h, reflux

参考文献：

Discovery of potent, non-carbonyl inhibitors of fatty acid amide hydrolase (FAAH)

Gowlugari, Sumithra; et al, MedChemComm, 2012, 3(10), 1258-1263

合成路线：2 步

97308-54-8

80935-77-9

反应条件：

1.1 Reagents: Sodium carbonate , Hydrogen peroxide Solvents: Acetone
2.1 Reagents: p-Toluenesulfonic acid Solvents: Benzene

参考文献：

Condensed heteroaromatic ring systems. III. Synthesis of naphthyridine derivatives by cyclization of ethynylpyridinecarboxamides

Sakamoto, Takao; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(2), 626-33

合成路线：3 步

1104027-41-9

143-33-9

80935-77-9

反应条件：

1.1 Reagents: Potassium carbonate Solvents: Water ; 30 min, rt; 2 h, 50 °C
2.1 Reagents: Pyrrolidine Solvents: Dimethylformamide ; 16 h, 130 °C
3.1 Reagents: Hydrogen bromide Solvents: Ethanol , Water ; 16 h, reflux

参考文献：

Discovery of potent, non-carbonyl inhibitors of fatty acid amide hydrolase (FAAH)

Gowlugari, Sumithra; et al, MedChemComm, 2012, 3(10), 1258-1263

合成路线：3 步

251101-36-7

80935-77-9

反应条件：

1.1 Reagents: Phosphorus oxychloride ; 24 h, rt → reflux; reflux → rt
1.2 Reagents: Sodium carbonate Solvents: Water ; 0 °C
2.1 Solvents: Dimethylformamide ; overnight, rt → reflux; reflux → rt; overnight, rt → reflux; reflux → rt; overnight, rt → reflux
3.1 Reagents: Hydrogen bromide Solvents: Ethanol , Water ; overnight, rt → reflux
3.2 Reagents: Sodium carbonate Solvents: Water

参考文献：

Discovery and synthesis of 6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepin-5-one-based novel chemotype CCR2 antagonists via scaffold hopping strategy

Qin, Li-Huai; et al, Bioorganic & Medicinal Chemistry, 2018, 26(12), 3559-3572

合成路线：3 步

97308-51-5

80935-77-9

反应条件：

1.1 Reagents: Sodium methoxide Solvents: Methanol
2.1 Reagents: Sodium carbonate , Hydrogen peroxide Solvents: Acetone
3.1 Reagents: p-Toluenesulfonic acid Solvents: Benzene

参考文献：

Condensed heteroaromatic ring systems. III. Synthesis of naphthyridine derivatives by cyclization of ethynylpyridinecarboxamides

Sakamoto, Takao; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(2), 626-33

合成路线：4 步

1003-73-2

75-03-6

80935-77-9

反应条件：

1.1 Solvents: Dichloromethane ; overnight, rt
2.1 Reagents: Potassium carbonate Solvents: Water ; 30 min, rt; 2 h, 50 °C
3.1 Reagents: Pyrrolidine Solvents: Dimethylformamide ; 16 h, 130 °C
4.1 Reagents: Hydrogen bromide Solvents: Ethanol , Water ; 16 h, reflux

参考文献：

Discovery of potent, non-carbonyl inhibitors of fatty acid amide hydrolase (FAAH)

Gowlugari, Sumithra; et al, MedChemComm, 2012, 3(10), 1258-1263

合成路线：4 步

68325-15-5

1066-54-2

80935-77-9

反应条件：

1.1 Reagents: Triethylamine Catalysts: Cuprous iodide , Dichlorobis(triphenylphosphine)palladium
2.1 Reagents: Sodium methoxide Solvents: Methanol
3.1 Reagents: Sodium carbonate , Hydrogen peroxide Solvents: Acetone
4.1 Reagents: p-Toluenesulfonic acid Solvents: Benzene

参考文献：

Condensed heteroaromatic ring systems. III. Synthesis of naphthyridine derivatives by cyclization of ethynylpyridinecarboxamides

Sakamoto, Takao; et al, Chemical & Pharmaceutical Bulletin, 1985, 33(2), 626-33

合成路线：4 步

4021-12-9

80935-77-9

反应条件：

1.1 Reagents: Thionyl chloride ; 3 h, rt → reflux
1.2 Reagents: Ammonium hydroxide Solvents: Water ; 0 °C; 0 °C → rt; 10 min, rt
2.1 Reagents: Phosphorus oxychloride ; 24 h, rt → reflux; reflux → rt
2.2 Reagents: Sodium carbonate Solvents: Water ; 0 °C
3.1 Solvents: Dimethylformamide ; overnight, rt → reflux; reflux → rt; overnight, rt → reflux; reflux → rt; overnight, rt → reflux
4.1 Reagents: Hydrogen bromide Solvents: Ethanol , Water ; overnight, rt → reflux
4.2 Reagents: Sodium carbonate Solvents: Water

参考文献：

Discovery and synthesis of 6,7,8,9-tetrahydro-5H-pyrido[4,3-c]azepin-5-one-based novel chemotype CCR2 antagonists via scaffold hopping strategy

Qin, Li-Huai; et al, Bioorganic & Medicinal Chemistry, 2018, 26(12), 3559-3572