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维斯那津 | 82-57-5

中文名称：维斯那津

英文名称： visnagin

CAS No.： 82-57-5

分子式： C₁₃H₁₀O₄

分子量： 230.216104030609

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：维斯那津结构式

MSDS：维斯那津MSDS

PubChem CID： 6716

价格行情：维斯那津价格

快速询单国内供应商

维斯那津的其他展现形式

相关化合物

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简介

Visnagin 是一种抗氧化剂呋喃香豆素衍生物，具有抗炎特性，可用于缓解疼痛的研究。Visnagin 具有预防Cerulein 诱导的急性胰腺炎 (AP) 的潜力。Visnagin 在血管平滑肌中具有良好的血管扩张作用。

名称和标识符

InChIKey	NZVQLVGOZRELTG-UHFFFAOYSA-N
Inchi	1S/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3
SMILES	O=C1C2C(=CC3=C(C=2OC)C=CO3)OC(C)=C1

别名信息

- 中文别名 -

维斯那津
甲氧呋豆素
5-硝基糠腈
齿阿米素

- 英文别名 -

visnagin
4-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one
4-methoxy-7-methylfuro[3,2-g]chromen-5-one
5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl-
VISNAGIN(P)

4-Methoxy-7-Methyl-5H-furo[3,2-g][1]benzopyran-5-one
5-methoxy-2-methylfuranobenzopyran-4-one
5-Methoxy-2-methylfuranochromone
Desmethoxykhellin
EINECS 201-430-3
Visnagidin
Visnagine
[ "" ]
Visnagin
4-Methoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one (ACI)
Visnagin (6CI)
5-Methoxy-2-methyl-6,7-furanochrome
NSC 100593
5H-FURO(3,2-g)(1)BENZOPYRAN-5-ONE, 4-METHOXY-7-METHYL-
AKOS015955735
HMS2268P15
VS-08551
KBioSS_001707
Spectrum_001227
NSC100593
KBio1_001493
Oprea1_854963
KBioGR_002251
LMPK13110003
BSPBio_003099
4-Methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one
4-Methoxy-7-methyl-furo[3,2-g]chromen-5-one
4-Methoxy-7-methyl-5H-furo[3,2-g]-1-benzopyran-5-one
KBio2_006843
4-Methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one #
EN300-6745554
Spectrum4_001766
NZVQLVGOZRELTG-UHFFFAOYSA-
SpecPlus_000453
DivK1c_006549
FT-0603293
CHEMBL45176
SMR000112234
UNII-P64438MLBW
GTPL433
KBio2_001707
SDCCGMLS-0066603.P001
DTXSID50231509
KBio2_004275
KBio3_002319
82-57-5
SCHEMBL498450
Spectrum3_001340
NCGC00178297-01
4-Methoxy-7-methylfuro(3,2-g)chromen-5-one
SR-01000765669-3
4-Methoxy-7-methyl-5H-furo[3,2-g][1]benZopyran-5-one
Q7936365
5H-Furo[3,2-g][1]benzopyran-5-one, 4-methoxy-7-methyl-
SPECTRUM310041
InChI=1/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3
5-19-06-00030 (Beilstein Handbook Reference)
MLS000697721
CHEBI:10002
NCGC00095626-02
CCG-38444
P64438MLBW
NSC-100593
SR-01000765669
Spectrum2_001796
BRD-K68995359-001-02-8
SPBio_001751
HY-N1082
SR-01000765669-4
BDBM50051349
MFCD00005008
VISNAGIN [MI]
BRD-K68995359-001-06-9
BRN 0234955
4-Methoxy-7-methyl-5H-furo(3,2-g)(1)-benzopyran-5-one
4-METHOXY-7-METHYL-5H-FURO(3,2-G)(1)BENZOPYRAN-5-ONE
5H-Furo[3, 4-methoxy-7-methyl-
Desmethoxykhellin
NSC 100593
Visnagidin
Visnagine
FUK-724
L000822
NS00038213
Spectrum5_000351
MEGxp0_000332
NCGC00095626-01
4-methoxy-7-methylpyrano[3,2-f][1]benzoxol-5-one
C09049
CS-0016370
visnagine
desmethoxykhellin
5-methoxy-2-methylfuranochromone
visnagidin
MLSMR

物化性质

实验特性

LogP	2.85620
PSA	52.58000
折射率	1.4300 (estimate)
沸点	292.2°C (rough estimate)
熔点	139-142 °C
蒸气压	0.0±0.9 mmHg at 25°C
闪点	182.5°C
颜色与性状	Yellow powder
溶解性	极微溶于水，略溶于乙醇，易溶于氯仿。
密度	1.1302 (rough estimate)

计算特性

精确分子量	230.05800
氢键供体数量	0
氢键受体数量	4
可旋转化学键数量	1
同位素质量	230.057909
重原子数量	17
复杂度	362
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）	2.3
互变异构体数量	3
表面电荷	0
拓扑分子极性表面积	48.7

安全信息

RTECS号	LV1420000
安全说明	H303+H313+H333
风险术语	R22
危险品标志	Xn
危害声明	H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
警示性声明	P264+P280+P305+P351+P338+P337+P313
储存条件	4℃条件下存储，-4℃条件下存储更佳
危险类别码	22

国际标准相关数据

EINECS	201-430-3

合成路线

合成路线：1 步

122822-92-8

_60%

82-57-5

反应条件：

1.1 Catalysts: Nickel Solvents: Ethanol

参考文献：

Reactions of alkylthio-substituted chromium carbene complexes with alkynes: application to synthesis of visnagan

Yamashita, A.; et al, Journal of Organic Chemistry, 1989, 54(19), 4481-3

合成路线：5 步

122822-88-2

82-57-5

反应条件：

1.1 Reagents: Methyl iodide , Sodium hydride Solvents: Tetrahydrofuran
2.1 Reagents: Oxygen Catalysts: Palladium chloride , Cuprous chloride Solvents: Dimethylformamide , Water
3.1 Reagents: Boron trifluoride etherate Solvents: Dichloromethane
4.1 Reagents: Ethyl acetate , Sodium hydride Solvents: Tetrahydrofuran
4.2 Reagents: Hydrochloric acid Solvents: Methanol
5.1 Catalysts: Nickel Solvents: Ethanol

参考文献：

Reactions of alkylthio-substituted chromium carbene complexes with alkynes: application to synthesis of visnagan

Yamashita, A.; et al, Journal of Organic Chemistry, 1989, 54(19), 4481-3

合成路线：8 步

13007-92-6

2786-02-9

82-57-5

反应条件：

1.1 Solvents: Tetrahydrofuran
1.2 Reagents: Tetrabutylammonium bromide
2.1 Reagents: Acetyl chloride Solvents: Dichloromethane
2.2 -
3.1 Reagents: Boron trifluoride etherate , Triethylamine Solvents: Tetrahydrofuran
4.1 Reagents: Methyl iodide , Sodium hydride Solvents: Tetrahydrofuran
5.1 Reagents: Oxygen Catalysts: Palladium chloride , Cuprous chloride Solvents: Dimethylformamide , Water
6.1 Reagents: Boron trifluoride etherate Solvents: Dichloromethane
7.1 Reagents: Ethyl acetate , Sodium hydride Solvents: Tetrahydrofuran
7.2 Reagents: Hydrochloric acid Solvents: Methanol
8.1 Catalysts: Nickel Solvents: Ethanol

参考文献：

Reactions of alkylthio-substituted chromium carbene complexes with alkynes: application to synthesis of visnagan

Yamashita, A.; et al, Journal of Organic Chemistry, 1989, 54(19), 4481-3

合成路线：3 步

122822-90-6

82-57-5

反应条件：

1.1 Reagents: Boron trifluoride etherate Solvents: Dichloromethane
2.1 Reagents: Ethyl acetate , Sodium hydride Solvents: Tetrahydrofuran
2.2 Reagents: Hydrochloric acid Solvents: Methanol
3.1 Catalysts: Nickel Solvents: Ethanol

参考文献：

Reactions of alkylthio-substituted chromium carbene complexes with alkynes: application to synthesis of visnagan

Yamashita, A.; et al, Journal of Organic Chemistry, 1989, 54(19), 4481-3

合成路线：6 步

122822-93-9

122822-87-1

108-24-7

82-57-5

反应条件：

1.1 Reagents: Boron trifluoride etherate , Triethylamine Solvents: Tetrahydrofuran
2.1 Reagents: Methyl iodide , Sodium hydride Solvents: Tetrahydrofuran
3.1 Reagents: Oxygen Catalysts: Palladium chloride , Cuprous chloride Solvents: Dimethylformamide , Water
4.1 Reagents: Boron trifluoride etherate Solvents: Dichloromethane
5.1 Reagents: Ethyl acetate , Sodium hydride Solvents: Tetrahydrofuran
5.2 Reagents: Hydrochloric acid Solvents: Methanol
6.1 Catalysts: Nickel Solvents: Ethanol

参考文献：

Reactions of alkylthio-substituted chromium carbene complexes with alkynes: application to synthesis of visnagan

Yamashita, A.; et al, Journal of Organic Chemistry, 1989, 54(19), 4481-3

合成路线：2 步

122822-91-7

82-57-5

反应条件：

1.1 Reagents: Ethyl acetate , Sodium hydride Solvents: Tetrahydrofuran
1.2 Reagents: Hydrochloric acid Solvents: Methanol
2.1 Catalysts: Nickel Solvents: Ethanol

参考文献：

Reactions of alkylthio-substituted chromium carbene complexes with alkynes: application to synthesis of visnagan

Yamashita, A.; et al, Journal of Organic Chemistry, 1989, 54(19), 4481-3

合成路线：4 步

122822-89-3

82-57-5

反应条件：

1.1 Reagents: Oxygen Catalysts: Palladium chloride , Cuprous chloride Solvents: Dimethylformamide , Water
2.1 Reagents: Boron trifluoride etherate Solvents: Dichloromethane
3.1 Reagents: Ethyl acetate , Sodium hydride Solvents: Tetrahydrofuran
3.2 Reagents: Hydrochloric acid Solvents: Methanol
4.1 Catalysts: Nickel Solvents: Ethanol

参考文献：

Reactions of alkylthio-substituted chromium carbene complexes with alkynes: application to synthesis of visnagan

Yamashita, A.; et al, Journal of Organic Chemistry, 1989, 54(19), 4481-3

合成路线：7 步

46846-32-6

10549-76-5

74-93-1

82-57-5

反应条件：

1.1 Reagents: Acetyl chloride Solvents: Dichloromethane
1.2 -
2.1 Reagents: Boron trifluoride etherate , Triethylamine Solvents: Tetrahydrofuran
3.1 Reagents: Methyl iodide , Sodium hydride Solvents: Tetrahydrofuran
4.1 Reagents: Oxygen Catalysts: Palladium chloride , Cuprous chloride Solvents: Dimethylformamide , Water
5.1 Reagents: Boron trifluoride etherate Solvents: Dichloromethane
6.1 Reagents: Ethyl acetate , Sodium hydride Solvents: Tetrahydrofuran
6.2 Reagents: Hydrochloric acid Solvents: Methanol
7.1 Catalysts: Nickel Solvents: Ethanol

参考文献：

Reactions of alkylthio-substituted chromium carbene complexes with alkynes: application to synthesis of visnagan

Yamashita, A.; et al, Journal of Organic Chemistry, 1989, 54(19), 4481-3

维斯那津 | 82-57-5

合成路线：1 步

合成路线：5 步

合成路线：8 步

合成路线：3 步

合成路线：6 步

合成路线：2 步

合成路线：4 步

合成路线：7 步

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