97804-50-7 (MK-7中间体,(1R,4S,4aR,9aS)-rel-1,4,4a,9a-Tetrahydro-4a-methyl-1,4-methanoanthracene-9,10-dione)

快速询单

结构式：

MK-7中间体MOL文件

CAS号：

97804-50-7

中文名称：

MK-7中间体

英文名称：

(1R,4S,4aR,9aS)-rel-1,4,4a,9a-Tetrahydro-4a-methyl-1,4-methanoanthracene-9,10-dione

分子式：

C₁₆H₁₄O₂

分子量：

238.281164646149

API：

Menatetrenone

MK-7中间体(97804-50-7)名称与标识符

名称

中文别名：

(1R,4s,4ar,9as)-rel-1,4,4a,9a-四氢-4a-甲基-1,4-甲烷蒽-9,10-二酮;MK-7中间体;(1alpha,4alpha,4aalpha,9aalpha)-1,4,4a,9a-四氢-4a-甲基-1,4-甲桥蒽-9,10-二酮;

英文别名：

(1R,4S,4aR,9aS)-rel-1,4,4a,9a-Tetrahydro-4a-methyl-1,4-methanoanthracene-9,10-dione;(1R,4S,4aR,9aS)-rel-;(1R,4S,4AR,9AS)-REL-1,4,4A,9A-TETRAHYDRO-4A-METHYL-1,4-METHANOANTHRACENE-9,10-DIONE,PALE YELLOW SOLIDS;1,4,4a,9a-tetrahydro-4a-methyl-(1α,4α,4aα,9aα)-1,4-methaneanthracene-9,10-dione;1,4,4a-trihydro-9a-methyl-9,10-dioxo-1,4-methanoanthracene;(1R,4S,4Ar,9aS)-rel-4a-Methyl-1,4,4a,9a-tetrahydro-1,4-methanoanthracene-9,10-dione;1,4-Methanoanthracene-9,10-dione, 1,4,4a,9a-tetrahydro-4a-methyl-, (1α,4α,4aα,9aα)- (ZCI);rel-(1R,4S,4aR,9aS)-1,4,4a,9a-Tetrahydro-4a-methyl-1,4-methanoanthracene-9,10-dione (ACI);

标识符

MDL：

MFCD29044886

InChIKey：

NELNWZJOZOSDFH-YBFQDZRDSA-N

Inchi：

1S/C16H14O2/c1-16-10-7-6-9(8-10)13(16)14(17)11-4-2-3-5-12(11)15(16)18/h2-7,9-10,13H,8H2,1H3/t9-,10+,13+,16+/m0/s1

SMILES：

C[C@]12C(=O)C3C=CC=CC=3C(=O)[C@H]1[C@H]1C=C[C@@H]2C1

MK-7中间体(97804-50-7)物化性质

实验特性

LogP : 2.89400
PSA : 34.14000
沸点 : 394.5±42.0°C at 760 mmHg
熔点 : 82-84 ºC
溶解度 : Insuluble (2.6E-3 g/L) (25 ºC),
密度 : 1.267±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 238.09900
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
重原子数量 : 18
复杂度 : 464
拓扑分子极性表面积 : 34.1

MK-7中间体(97804-50-7)安全信息

危害声明：H302-H315-H319-H335
储存条件： Sealed in dry,Room Temperature

MK-7中间体(97804-50-7)推荐厂家更多厂家(33)

公司名称	手机号/电话	联系人	QQ	询单
深圳菲斯生物科技有限公司	18925202235	周美娇	2850179284	询单
湖北扬信医药科技有限公司	13092795037 0714-3996388	熊磊	3003473323	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海甄准生物科技有限公司	18217024652 021-68920155	张经理18217024652	3001084617	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
上海创赛科技有限公司	15021221957 021-59553580	凌度	2852351983	询单
铼博（上海）生化科技有限公司	13311756052 021-60536361 13311756052 13311756131	张经理	2851717387	询单
湖北常鑫盛化工有限公司	18971238634	吴经理	2189484023	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
湖北瑞科化工有限公司	13545904560	石经理	1689694891	询单

MK-7中间体(97804-50-7)合成路线

合成路线：1 步

542-92-7

58-27-5

_{86-93%93%93%86%}

97804-50-7

反应条件：

1.1 Solvents: Methanol ; rt → 30 °C; 30 °C
1.2 Catalysts: Acetic acid ; 35 °C; 13 h, 35 °C
1.1 Reagents: Dodecyltrimethylammonium bromide Solvents: Acetic acid ; 5 h, 25 °C
1.1 Catalysts: Hexadecyltrimethylammonium bromide Solvents: Water

参考文献：

Method for synthesis of vitamin k2 from SolanesolImproved synthesis of vitamin K1Micellar catalysis. π4s + π2s Cycloaddition in aqueous media

Ji, Ya-Fei; et al Singh, V. K.; et al, China, 2003, 33(5), 763-772

合成路线：1 步

1130728-52-7

542-92-7

_90%90%90%

97804-50-7

反应条件：

1.1 Solvents: Dichloromethane ; 10 min, rt
1.1 Solvents: Dichloromethane ; 10 min, 25 °C

参考文献：

Synthesis of Benzo- and Naphthoquinonyl Boronic Acids: Exploring the Diels-Alder ReactivityControl of the regio- and stereoselectivity in diels-alder reactions with quinone boronic acids

Veguillas, Marcos; et al Redondo, Maria C.; et al, Chemistry - A European Journal, 2010, 16(12), 3707-3719

合成路线：1 步

97804-50-7

参考文献：

π4s + π2s Cycloaddition of spiro[4.n]cyclic 1,3-dienes with quinones in homogeneous and aqueous micellar media: synthesis of novel polycyclic cage dionesStudies on cyclobutyl bond cleavage by adjacent ketyl radical generated under PET conditions

Singh, Vishwakarma; et al Pandey, Bipin; et al, Indian Journal of Chemistry, 1996, 50(12), 303-11

合成路线：2 步

590401-48-2

97804-50-7

反应条件：

1.1 Reagents: Ceric ammonium nitrate Solvents: Acetonitrile , Water ; 0 °C; 30 min, 0 °C
2.1 Solvents: Dichloromethane ; 10 min, rt
1.1 Reagents: Ceric ammonium nitrate Solvents: Acetonitrile , Water ; 0 °C; 30 min, 0 °C
2.1 Solvents: Dichloromethane ; 10 min, 25 °C

参考文献：

Synthesis of Benzo- and Naphthoquinonyl Boronic Acids: Exploring the Diels-Alder ReactivityControl of the regio- and stereoselectivity in diels-alder reactions with quinone boronic acids

Veguillas, Marcos; et al Redondo, Maria C.; et al, Chemistry - A European Journal, 2010, 16(12), 3707-3719

合成路线：2 步

77-73-6

97804-50-7

反应条件：

1.1 rt → 200 °C
2.1 Solvents: Methanol ; rt → 30 °C; 30 °C
2.2 Catalysts: Acetic acid ; 35 °C; 13 h, 35 °C

参考文献：

Method for synthesis of vitamin k2 from Solanesol

, China, , ,

合成路线：3 步

53772-33-1

97804-50-7

反应条件：

1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; -78 °C; 5 min, -78 °C
1.2 Reagents: Triisopropyl borate ; -78 °C; 10 min, -78 °C; -78 °C → rt; overnight, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ; acidified, rt
2.1 Reagents: Ceric ammonium nitrate Solvents: Acetonitrile , Water ; 0 °C; 30 min, 0 °C
3.1 Solvents: Dichloromethane ; 10 min, rt
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran , Hexane ; -78 °C; 5 min, -78 °C
1.2 Reagents: Triisopropyl borate ; -78 °C; 10 min, -78 °C; -78 °C → rt; overnight, rt
1.3 Reagents: Hydrochloric acid Solvents: Water ; acidified
2.1 Reagents: Ceric ammonium nitrate Solvents: Acetonitrile , Water ; 0 °C; 30 min, 0 °C
3.1 Solvents: Dichloromethane ; 10 min, 25 °C

参考文献：

Synthesis of Benzo- and Naphthoquinonyl Boronic Acids: Exploring the Diels-Alder ReactivityControl of the regio- and stereoselectivity in diels-alder reactions with quinone boronic acids

Veguillas, Marcos; et al Redondo, Maria C.; et al, Chemistry - A European Journal, 2010, 16(12), 3707-3719