95-41-0 (二氢茉莉酮,dihydroisojasmone)

快速询单

结构式：

二氢茉莉酮MOL文件

CAS号：

95-41-0

中文名称：

二氢茉莉酮

英文名称：

dihydroisojasmone

分子式：

C₁₁H₁₈O

分子量：

166.260023593903

二氢茉莉酮(95-41-0)名称与标识符

名称

中文别名：

二氢茉莉酮;2-己基-2-环戊烯-1-酮;

英文别名：

dihydroisojasmone;Dihydro-iso-Jasmone;2-hexylcyclopent-2-en-1-one;ISOJASMONE;2-Cyclopenten-1-one,2-hexyl;2-Hexyl-2-cyclopenten-1-one;2-Hexyl-2-cyclopentenone;2-hexylcyclopent-2-enone;2-n-Hexyl-2-cyclopenten-1-one;2-n-hexyl-2-cyclopentenone;EINECS 202-417-5;isojasmone B11;2-Hexyl-2-cyclopenten-1-one (ACI);2-Hexyl-1-cyclopenten-3-one;2-Hexyl-2-cyclopenten-1-on;Isojasmol;NSC 78462;

标识符

InChIKey：

VGECIEOJXLMWGO-UHFFFAOYSA-N

Inchi：

1S/C11H18O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h8H,2-7,9H2,1H3

SMILES：

O=C1CCC=C1CCCCCC

二氢茉莉酮(95-41-0)物化性质

实验特性

LogP : 3.24610
PSA : 17.07000
折射率 : 1.4677 (estimate)
沸点 : 254.5°C (rough estimate)
密度 : 0.8997 (rough estimate)

计算特性

精确分子量 : 166.13600
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 5
重原子数量 : 12
复杂度 : 179
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） : 3.5
互变异构体数量 : 7
表面电荷 : 0

二氢茉莉酮(95-41-0)安全信息

危险品标志： Xn
危险类别码： 22

二氢茉莉酮(95-41-0)国际标准相关数据

EINECS：

202-417-5

二氢茉莉酮(95-41-0)海关数据

海关编码：

2914299000

海关数据：

中国海关编码：

2914299000

概述：

2914299000. 其他不含其他含氧基的环烷酮、环烯酮或环萜烯酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 丙酮报明包装

Summary：

2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

二氢茉莉酮(95-41-0)推荐厂家更多厂家(16)

公司名称	手机号/电话	联系人	QQ	询单
江苏润丰合成科技有限公司	18662931390 0513-66017679	蔡经理	507167383	询单
南通润丰石油化工有限公司	19952847550 0513-66017696	曹海燕	2143087160	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
武汉鑫伟烨化工有限公司	18502781673 027-18502781673	张经理	359501377	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
湖北美钡新材料有限公司	18271819653	洪	1483755123	询单
深圳市星凯越生物科技有限公司	18589069862 0755-23226175	赵经理	1158168052	询单
天成化工（江苏）有限公司	15251950002 0512-83500002	陈小姐		询单
天成化工（江苏）有限公司	15251950002 0512-83500002	陈小姐		询单

二氢茉莉酮(95-41-0)合成路线

合成路线：1 步

反应条件：

1.1 Catalysts: Triruthenium dodecacarbonyl Solvents: Toluene ; 10 min, 100 °C
1.2 3 h, 100 °C; 24 h, 100 °C; 100 °C → rt
1.3 Reagents: Hydrochloric acid Solvents: Water ; rt
1.4 Reagents: Sodium bicarbonate ; neutralized, rt

参考文献：

Catalytic intermolecular Pauson-Khand-type reaction: strong directing effect of pyridylsilyl and pyrimidylsilyl groups and isolation of Ru complexes relevant to catalytic reaction

Itami, Kenichiro; Mitsudo, Koichi; Fujita, Kazuyoshi; Ohashi, Youichi; Yoshida, Junichi, Journal of the American Chemical Society, 2004, 126(35), 11058-11066

合成路线：1 步

反应条件：

1.1 Catalysts: Triruthenium dodecacarbonyl Solvents: Toluene ; 3 h, 1 atm, 100 °C; 24 h, 1 atm, 100 °C

参考文献：

A pyridylsilyl group expands the scope of catalytic intermolecular Pauson-Khand reactions

Itami, Kenichiro; Mitsudo, Koichi; Yoshida, Junichi, Angewandte Chemie, 2002, 41(18), 3481-3484

合成路线：1 步

3761-92-0

33948-35-5

_81%

95-41-0

反应条件：

1.1 Reagents: Zinc bromide Solvents: Diethyl ether , Tetrahydrofuran
1.2 Catalysts: Dichlorobis(triphenylphosphine)palladium Solvents: Dimethylformamide
1.3 Reagents: Ammonium chloride Solvents: Water

参考文献：

Strictly regiocontrolled α-monosubstitution of cyclic carbonyl compounds with alkynyl and alkyl groups via Pd-catalyzed coupling of cyclic α-iodo enones with organozincs

Negishi, Ei-Ichi; Tan, Ze; Liou, Show-Yee; Liao, Baiqiao, Tetrahedron, 2000, 56(52), 10197-10207

合成路线：1 步

159563-19-6

_80%

95-41-0

反应条件：

1.1 Reagents: Sodium hydroxide Solvents: Water

参考文献：

Convenient method for preparation of 2-substituted 2-cyclopenten-1-ones from alkyl(alkenyl) 2-chloropropyl ketones

Kulinkovich, O. G.; Sorokin, V. L., Zhurnal Organicheskoi Khimii, 1994, 30(2), 191-2

合成路线：1 步

95-41-0

参考文献：

Syntheses of 2-cycloalken-1-ones

Shimazaki, Makoto; Huang, Zhi Hui; Goto, Mikiko; Suzuki, Noriko; Ohta, Akihiro, Synthesis, 1990, (8), 677-8

合成路线：1 步

71525-51-4

_89%

95-41-0

反应条件：

1.1 Reagents: Sodium hydroxide Solvents: Diethyl ether , Water

参考文献：

Synthesis of 2-alkyl-2-cyclopenten-1-ones. A versatile kinetic alkylation-ozonolysis procedure for the preparation of γ-keto aldehydes

Geraghty, Niall W. A.; Morris, Noreen M., Synthesis, 1989, (8), 603-7

合成路线：1 步

105576-06-5

95-41-0

反应条件：

1.1 Reagents: tert-Butyllithium Solvents: Diethyl ether , Pentane
1.2 Reagents: Ammonium chloride Solvents: Water

参考文献：

Metal promoted cyclization. 10. A novel synthesis of cyclopentenones and cyclohexenones via cycliacylation of lithioalkenylcarboxamides

Sawada, Hiroyuki; Webb, Michael; Stoll, A. Timothy; Negishi, Eiichi, Tetrahedron Letters, 1986, 27(7), 775-8

合成路线：1 步

95-41-0

参考文献：

Isomerization of alkenes

Lu, Xingliang; Yu, Xiong; Xie, Liangyi, Youji Huaxue, 1985, (6), 479-85

合成路线：1 步

95-41-0

参考文献：

Deoxygenation of oxiranes with toluene-p-sulfonic acid and sodium iodide

Baruah, Robindra N.; Sharma, Ram P.; Baruah, Jogendra N., Chemistry & Industry (London, 1983, (13),

合成路线：1 步

95-41-0

参考文献：

Syntheses of 2-alkyl-2-cyclopentenones from 2,3-epoxycyclopentanone

Iwahashi, Takashi; Matsubara, Fumio; Yoshihiro, Yoshiro, Yukagaku, 1982, 31(9), 612-14

合成路线：1 步

83593-56-0

_94%

95-41-0

参考文献：

Conversion of 2-alkylcyclopentanones into 2-alkyl-2-cyclopentenones with hydrated ferric chloride and cupric chloride

Cardinale, G.; Laan, J. A. M.; Russell, S. W.; Ward, J. P., Recueil: Journal of the Royal Netherlands Chemical Society, 1982, 101(6), 199-202

合成路线：1 步

80438-44-4

95-41-0

反应条件：

1.1 Reagents: Hydrochloric acid

参考文献：

Syntheses of 2-alkyl-2-cyclopentenones and 2-alkylcyclopentanones from 1-alkyl-cis-2,3-epoxycyclopentanols

Iwahashi, Takashi; Matsubara, Fumio; Yoshihiro, Yoshiro, Yukagaku, 1981, 30(11), 762-6

合成路线：1 步

17373-89-6

95-41-0

反应条件：

1.1 Reagents: Hydrochloric acid Solvents: 1-Butanol

参考文献：

Synthesis of 2-alkyl-2-cyclopentenones from 2-cyclopentenone

Iwahashi, Takashi; Matubara, Fumio; Yoshihiro, Yoshiro, Nippon Kagaku Kaishi, 1981, (7), 1121-8

合成路线：1 步

95-41-0

参考文献：

Palladium-assisted alkylation of olefins

Hegedus, Louis S.; Williams, Robert E.; McGuire, Michael A.; Hayashi, Tamio, Journal of the American Chemical Society, 1980, 102(15), 4973-9

合成路线：1 步

95-41-0

参考文献：

Synthetic perfumes from castor oil. IV. Preparation of 2-hexyl-2-cyclopenten-1-one from γ-undecalactone

Yumoto, Takaari, Nagoya Kogyo Gijutsu Shikensho Hokoku, 1979, 28(9), 275-8

合成路线：1 步

95-41-0

参考文献：

Radical reactions of carbonyl compounds initiated by salts and oxides of metals. XI. Reaction of cyclic ketones with 1-alkenes and 1-alkynes

Vinogradov, M. G.; Direi, P. A.; Nikishin, G. I., Zhurnal Organicheskoi Khimii, 1977, 13(12), 2498-504

合成路线：1 步

95-41-0

参考文献：

Synthesis in jasmone series. VII. Preparation of 2-alkylcyclopentenones and 2-alkylcyclopentanones

Katsin, Nora; Ikan, Raphael, Synthetic Communications, 1977, 7(3), 185-8

合成路线：1 步

95-41-0

参考文献：

Allylic oxidation of monoalkyl-substituted cyclopentenes

Thakur, S. B.; Jadhav, K. S.; Shaligram, A. M.; Bhattacharyya, S. C., Indian Journal of Chemistry, 1975, 13(1), 29-32

合成路线：1 步

95-41-0

参考文献：

Simple route to 2-alkylcyclopent-2-enones

Caton, Michael P. L.; Coffee, Edward C. J.; Parker, Trevor; Watkins, G. Leonard, Synthetic Communications, 1974, 4(5), 303-6

合成路线：1 步

95-41-0

参考文献：

Cyclization of undec-10-enoic acid by polyphosphoric acid

Ansell, Martin F.; Kafka, T. M., Tetrahedron, 1969, 25(24), 6025-6

合成路线：1 步

95-41-0

参考文献：

Syntheses based on ω-chloroalkanoic acids. V. Cyclization of oligomeric esters of ω-hydroxycarboxylic acids

Belov, V. N.; Eryshev, B. Ya.; Avramenko, V. G.; Bratus, I. N.; Gornostaeva, A. A.; et al, Zhurnal Organicheskoi Khimii, 1968, 4(12), 2111-13

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95-41-0 (二氢茉莉酮,dihydroisojasmone)

二氢茉莉酮(95-41-0)名称与标识符

名称

标识符

二氢茉莉酮(95-41-0)物化性质

实验特性

计算特性

二氢茉莉酮(95-41-0)安全信息

二氢茉莉酮(95-41-0)国际标准相关数据

二氢茉莉酮(95-41-0)海关数据

中国海关编码：

概述：

申报要素：

Summary：

二氢茉莉酮(95-41-0)推荐厂家 更多厂家(16)

二氢茉莉酮(95-41-0)合成路线

二氢茉莉酮(95-41-0)相关文献

目录

二氢茉莉酮(95-41-0)推荐厂家更多厂家(16)