2-(5-Mercapto-4-phenylamino-4H-[1,2,4]triazol-3-yl)-phenol | 155776-05-9

分子结构分类

有机化合物 - 有机杂环化合物 - 唑类

中文名称

——

中文别名

——

英文名称

2-(5-Mercapto-4-phenylamino-4H-[1,2,4]triazol-3-yl)-phenol

英文别名

——

2-(5-Mercapto-4-phenylamino-4H-[1,2,4]triazol-3-yl)-phenol化学式

CAS

155776-05-9

化学式

C₁₄H₁₂N₄OS

mdl

——

分子量

284.341

InChiKey

BWOZLXDDJNOOOJ-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

195-196 °C
沸点：

423.8±47.0 °C(Predicted)
密度：

1.39±0.1 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2.81
重原子数：

20.0
可旋转键数：

3.0
环数：

3.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

62.97
氢给体数：

3.0
氢受体数：

6.0

上下游信息

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	2-(5-Methylsulfanyl-4-phenylamino-4H-[1,2,4]triazol-3-yl)-phenol	322479-34-5	C₁₅H₁₄N₄OS	298.368
——	5-[5-(2-Hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-pyrimidine-2,4,6-trione	155777-22-3	C₁₈H₁₄N₆O₄S	410.413
——	4-[5-(2-Hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-5-methyl-2,4-dihydro-pyrazol-3-one	155776-12-8	C₁₈H₁₆N₆O₂S	380.43
——	2-(4-Chloro-phenylsulfanyl)-2-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-1-phenyl-ethanone	161498-88-0	C₂₈H₂₁ClN₄O₂S₂	545.085
——	2-(4-Chloro-phenylsulfanyl)-2-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-1-p-tolyl-ethanone	161498-96-0	C₂₉H₂₃ClN₄O₂S₂	559.112
——	2-[5-(2-Hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-2-phenoxy-1-phenyl-ethanone	161497-93-4	C₂₈H₂₂N₄O₃S	494.574
——	5-Bromo-5-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-pyrimidine-2,4,6-trione	155777-31-4	C₁₈H₁₃BrN₆O₄S	489.309
——	2-[5-(2-Hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-2-phenoxy-1-p-tolyl-ethanone	161498-72-2	C₂₉H₂₄N₄O₃S	508.601
——	2-(4-Chloro-phenoxy)-2-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-1-phenyl-ethanone	161498-76-6	C₂₈H₂₁ClN₄O₃S	529.019
——	2-(4-Chloro-phenoxy)-1-(4-chloro-phenyl)-2-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone	161498-80-2	C₂₈H₂₀Cl₂N₄O₃S	563.464
——	2-(4-Chloro-phenoxy)-2-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-1-p-tolyl-ethanone	161498-84-6	C₂₉H₂₃ClN₄O₃S	543.046
——	4-anilino-3-(2-hydroxyphenyl)-5-s-[3'-phenyl-(4'H)-5-oxoisoxazol-4'-yl]-1,2,4-triazole	225502-65-8	C₂₃H₁₇N₅O₃S	443.486
——	4-Bromo-4-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-5-methyl-2,4-dihydro-pyrazol-3-one	155776-48-0	C₁₈H₁₅BrN₆O₂S	459.326
——	4-[5-(2-Hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-5-phenyl-2,4-dihydro-pyrazol-3-one	155776-32-2	C₂₃H₁₈N₆O₂S	442.501
——	4-[5-(2-Hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one	155776-21-9	C₂₄H₂₀N₆O₂S	456.528
——	2-Bromo-1-(4-chloro-phenyl)-2-(4-chloro-phenylsulfanyl)-2-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone	161498-58-4	C₂₈H₁₉BrCl₂N₄O₂S₂	658.426
——	4-anilino-3-(2-hydroxyphenyl)-5-s-[3'-(2-chlorophenyl)-(4'H)-5-oxoisoxazol-4'-yl]-1,2,4-triazole	225502-69-2	C₂₃H₁₆ClN₅O₃S	477.931
——	2-Bromo-2-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-2-phenoxy-1-phenyl-ethanone	161497-95-6	C₂₈H₂₁BrN₄O₃S	573.47
——	2-Bromo-2-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-2-phenoxy-1-p-tolyl-ethanone	161498-38-0	C₂₉H₂₃BrN₄O₃S	587.497
——	2-Bromo-2-(4-chloro-phenoxy)-2-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-1-phenyl-ethanone	161498-42-6	C₂₈H₂₀BrClN₄O₃S	607.915
——	2-Bromo-1-(4-chloro-phenyl)-2-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-2-phenoxy-ethanone	161498-34-6	C₂₈H₂₀BrClN₄O₃S	607.915
——	2-Bromo-2-(4-chloro-phenoxy)-1-(4-chloro-phenyl)-2-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone	161498-46-0	C₂₈H₁₉BrCl₂N₄O₃S	642.36
——	2-Bromo-2-(4-chloro-phenoxy)-2-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-1-p-tolyl-ethanone	161498-50-6	C₂₉H₂₂BrClN₄O₃S	621.942
——	4-anilino-3-(2-hydroxyphenyl)-5-s-[4'-bromo-3'-phenyl-5-oxoisoxazol-4'-yl]-1,2,4-triazole	225502-73-8	C₂₃H₁₆BrN₅O₃S	522.382
——	3H-Pyrazol-3-one,4-bromo-2,4-dihydro-4-[[5-(2-hydroxyphenyl)-4-(phenylamino)-4H-1,2,4-triazol-3-yl]thio]-5-phenyl-	155776-68-4	C₂₃H₁₇BrN₆O₂S	521.397
——	4-[5-(2-Hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-2,5-diphenyl-2,4-dihydro-pyrazol-3-one	155776-40-2	C₂₉H₂₂N₆O₂S	518.599
——	4-anilino-3-(2-hydroxyphenyl)-5-s-[4'-bromo-3'-(2-chlorophenyl)-5-oxoisoxazol-4'-yl]-1,2,4-triazole	225502-77-2	C₂₃H₁₅BrClN₅O₃S	556.827
——	4-Bromo-4-[5-(2-hydroxy-phenyl)-4-phenylamino-4H-[1,2,4]triazol-3-ylsulfanyl]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one	155776-57-1	C₂₄H₁₉BrN₆O₂S	535.424

反应信息

作为反应物：

描述：

2-(5-Mercapto-4-phenylamino-4H-[1,2,4]triazol-3-yl)-phenol 在 sodium hydroxide 作用下，以乙醇、乙腈为溶剂，反应 8.0h，生成 3-methylthio-5-phenyl-6-(4-methoxyphenyl)-s-triazolo[4,3-d]-1,3,4,2-benzotriazaphosphopine-6-sulphide

参考文献：

名称：

2,4=双(4-甲氧基苯基)- 1,3,2,4-二硫代二苯基-2,4-二硫化物（劳森氏试剂，LR）与一些S-三唑衍生物的反应。S-三唑融合的 P-杂环的合成

摘要：

摘要 Lawesson 试剂 (LR, 1) 与 3-(O-羟基-、O-氨基-和 O-甲氨基-取代)苯基-4-羟基(苯基氨基)-5-巯基(甲硫基)-1,2,4 反应-三唑 2a-f 和 4a-f 分别提供稠合系统 3a-f 和 5a-f。用 3-(O-羟基-,O-氨基-和 O-甲氨基-取代的)苯基-5-巯基(苄硫基)-1,2,4-三唑 6a-c 和 8a-c 对 1 进行类似处理得到冷凝系统 7a-c 和 9 ac，分别。

DOI：

10.1080/10426500008045229
作为产物：

描述：

水杨酸在硫酸、一水合肼、 potassium hydroxide 作用下，以甲醇、水为溶剂，反应 4.25h，生成 2-(5-Mercapto-4-phenylamino-4H-[1,2,4]triazol-3-yl)-phenol

参考文献：

名称：

Chhabria, Mahesh T.; Suhagia, Bhanubhai N.; Brahmkshatriya, Pathik S., Arzneimittel-Forschung/Drug Research, 2011, vol. 61, # 8, p. 452 - 457

摘要：

DOI：

点击查看最新优质反应信息

文献信息

Chande, Madhukar S.; Bhandari, Jayesh D.; Joshi, Vishwas R., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1993, vol. 32, # 12, p. 1218 - 1228

作者：Chande, Madhukar S.、Bhandari, Jayesh D.、Joshi, Vishwas R.

DOI：——

日期：——
Chande, Madhukar S.; Joshi, Vishvas R., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1995, vol. 34, # 2, p. 147 - 150

作者：Chande, Madhukar S.、Joshi, Vishvas R.

DOI：——

日期：——
Chande, Madhukar S.; Joshi, Ravindra M., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999, vol. 38, # 2, p. 218 - 220

作者：Chande, Madhukar S.、Joshi, Ravindra M.

DOI：——

日期：——
Chande Madhukar S., Bhandari Jayesh D., Joshi Vishwas R., Indian J. Chem. B, 32 (1993) N 12, S 1218-1228

作者：Chande Madhukar S., Bhandari Jayesh D., Joshi Vishwas R.

DOI：——

日期：——