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2,7-Diacetyl-10-methylphenothiazin | 155130-16-8

分子结构分类

有机化合物 - 有机杂环化合物 - 苯并噻嗪类

中文名称

——

中文别名

——

英文名称

2,7-Diacetyl-10-methylphenothiazin

英文别名

2,7-diacetyl-N-methylphenothiazine；2,7-diacetyl-10-methyl-phenothiazine；2,7-Diacetyl-10-methyl-phenothiazin；1-(7-acetyl-10-methyl-10H-phenothiazin-2-yl)ethanone；1-(7-acetyl-10-methylphenothiazin-2-yl)ethanone

CAS

155130-16-8

化学式

C₁₇H₁₅NO₂S

mdl

——

分子量

297.378

InChiKey

MVCHMABGXIOSQD-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

223 °C(Solv: ethyl acetate (141-78-6))
沸点：

513.4±50.0 °C(Predicted)
密度：

1.240±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

3.1
重原子数：

21
可旋转键数：

2
环数：

3.0
sp3杂化的碳原子比例：

0.18
拓扑面积：

62.7
氢给体数：

0
氢受体数：

4

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
1-(10-甲基-10H-吩噻嗪-2-基)乙烷-1-酮	2-Acetyl-10-methylphenothiazin	25324-52-1	C₁₅H₁₃NOS	255.34
2-乙酰基吩噻嗪	2-acetylphenothiazine	6631-94-3	C₁₄H₁₁NOS	241.313
——	10-Methyl-2-(2-methyl-1,3-dioxolan-2-yl)phenothiazine	723249-76-1	C₁₇H₁₇NO₂S	299.393
——	2-(2-methyl-1,3-dioxolan-2-yl)-10H-phenothiazine	50971-92-1	C₁₆H₁₅NO₂S	285.367

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	2,7-bis(2'-bromoethyl)-N-methylphenothiazine	381165-15-7	C₁₇H₁₇Br₂NS	427.203
——	2,7-bis(2'-iodoethyl)-N-methylphenothiazine	381165-06-6	C₁₇H₁₇I₂NS	521.204
——	2,7-bis(2'-hydroxyethyl)-N-methylphenothiazine	381165-12-4	C₁₇H₁₉NO₂S	301.409
——	2,7-bis(3'-iodopropyl)-N-methylphenothiazine	381165-07-7	C₁₉H₂₁I₂NS	549.257
——	2,7-bis(2'-bromopropyl)-N-methylphenothiazine	381165-17-9	C₁₉H₂₁Br₂NS	455.256
——	2,7-bis(3'-hydroxypropyl)-N-methylphenothiazine	381165-13-5	C₁₉H₂₃NO₂S	329.463
——	2,7-bis(2'-cyanoethyl)-N-methylphenothiazine	381165-19-1	C₁₉H₁₇N₃S	319.43
——	2,7-bis(2'-bromobutyl)-N-methylphenothiazine	381165-18-0	C₂₁H₂₅Br₂NS	483.31
——	N-methyl-2,7-bis(pent-4-en-1-yl)phenothiazine	381165-21-5	C₂₃H₂₇NS	349.54
——	2,7-bis(4'-iodobutyl)-N-methylphenothiazine	381165-08-8	C₂₁H₂₅I₂NS	577.311
——	2,7-bis(4'-hydroxybutyl)-N-methylphenothiazine	381165-14-6	C₂₁H₂₇NO₂S	357.517
——	N-methylphenothiazin-2,7-diyldi(acetic acid)	155130-07-7	C₁₇H₁₅NO₄S	329.376
——	2,7-bis[2'-(methoxycarbonyl)ethyl]-N-methylphenothiazine	381165-10-2	C₂₁H₂₃NO₄S	385.484
——	dimethyl N-methylphenothiazine-2,7-diyldi(acetate)	155130-08-8	C₁₉H₁₉NO₄S	357.43
——	2,7-bis[3'-(methoxycarbonyl)propyl]-N-methylphenothiazine	381165-11-3	C₂₃H₂₇NO₄S	413.538
——	2,7-bis(2'-chloroethoxycarbonylmethyl)-N-methylphenothiazine	155130-09-9	C₂₁H₂₁Cl₂NO₄S	454.374
——	2,7-bis(17'-iodo-3',6',9',12',15'-pentaoxaheptadecyloxycarbonylmethyl)-N-methylphenothiazine	155130-06-6	C₄₁H₆₁I₂NO₁₄S	1077.81
——	2,7-bis(11'-iodo-3',6',9'-trioxaundecyloxycarbonylmethyl)-N-methylphenothiazine	155130-04-4	C₃₃H₄₅I₂NO₁₀S	901.596
——	2,7-bis(14'-iodo-3',6',9',12'-tetraoxatetradecyloxycarbonylmethyl)-N-methylphenothiazine	155130-05-5	C₃₇H₅₃I₂NO₁₂S	989.702
——	2,7-bis(8'-iodo-3',6'-dioxaoctyloxycarbonylmethyl)-N-methylphenothiazine	155130-03-3	C₂₉H₃₇I₂NO₈S	813.49
——	2,7-bis[3',3'-bis(methoxycarbonyl)propyl]-N-methylphenothiazine	381165-20-4	C₂₇H₃₁NO₈S	529.611

反应信息

作为反应物：

描述：

2,7-Diacetyl-10-methylphenothiazin 在吗啉、氢氧化钾、 1,1'-carbonylbis(3-methylimidazolium) triflate 作用下，生成 N-methyl-2,7-bis[17'-(p-toluenesulfonyl)-3',6',9',12',15'-pentaoxaheptadecyloxycarbonylmethyl]phenothiazine

参考文献：

名称：

Petry, Christoph; Lang, Martina; Staab, Heinz A., Angewandte Chemie, 1993, vol. 105, # 12, p. 1791 - 1795

摘要：

DOI：
作为产物：

描述：

2-(2-methyl-1,3-dioxolan-2-yl)-10H-phenothiazine 在盐酸、正丁基锂、三氯化铝作用下，以四氢呋喃、二硫化碳、正己烷为溶剂，反应 17.0h，生成 2,7-Diacetyl-10-methylphenothiazin

参考文献：

名称：

Phenothiazine−Bipyridinium Cyclophanes

摘要：

The syntheses of oligooxa[8,8]-, -[11,11]-, -[14,14]-, -[17,17]- and -[20,20]cyclophanes with phenothiazine as donor and bipyridinium. dication as acceptor are described, together with preparations of the corresponding oligomethylene-[3,3]- and -[4.4]cyclophanes. While the large [8,8]-, [11,11]- and [14,14]cyclophanes in particular show well-defined charge-transfer (CT) absorption maxima, the smallest [3,3]cyclophane does not exhibit any CT effect. For the large cyclophanes, a preferred conformation with crossed donor and acceptor units is proposed. The fluorescence quenching and electrochemical behaviour of all phenothiazine-bipyridinium cyclophanes is discussed.

DOI：

10.1002/1099-0690(200109)2001:17<3255::aid-ejoc3255>3.0.co;2-0

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文献信息

Cauquil; Casadevall, Bulletin de la Societe Chimique de France, 1955, p. 1061,1072

作者：Cauquil、Casadevall

DOI：——

日期：——
Petry, Christoph; Lang, Martina; Staab, Heinz A., Angewandte Chemie, 1993, vol. 105, # 12, p. 1791 - 1795

作者：Petry, Christoph、Lang, Martina、Staab, Heinz A.、Bauer, Helmut

DOI：——

日期：——
Phenothiazine−Bipyridinium Cyclophanes

作者：Helmut Bauer、Falk Stier、Christoph Petry、Andreas Knorr、Christian Stadler、Heinz A. Staab

DOI：10.1002/1099-0690(200109)2001:17<3255::aid-ejoc3255>3.0.co;2-0

日期：2001.9

The syntheses of oligooxa[8,8]-, -[11,11]-, -[14,14]-, -[17,17]- and -[20,20]cyclophanes with phenothiazine as donor and bipyridinium. dication as acceptor are described, together with preparations of the corresponding oligomethylene-[3,3]- and -[4.4]cyclophanes. While the large [8,8]-, [11,11]- and [14,14]cyclophanes in particular show well-defined charge-transfer (CT) absorption maxima, the smallest [3,3]cyclophane does not exhibit any CT effect. For the large cyclophanes, a preferred conformation with crossed donor and acceptor units is proposed. The fluorescence quenching and electrochemical behaviour of all phenothiazine-bipyridinium cyclophanes is discussed.