930-66-5 (1-氯环己烯,1-Chlorocyclohexene)

快速询单

结构式：

1-氯环己烯MOL文件

CAS号：

930-66-5

中文名称：

1-氯环己烯

英文名称：

1-Chlorocyclohexene

分子式：

C₆H₉Cl

分子量：

116.588660955429

1-氯环己烯(930-66-5)名称与标识符

名称

中文别名：

1-氯环己烯;

英文别名：

1-Chlorocyclohex-1-ene;1-Chloro-1-cyclohexene;1-Chlorocyclohexene-1;1-CHLOROCYCLOHEXENE;1-Chloroclohexene;Cyclohexene,1-chloro;1-CHLOROCYCLOHEXANE;1-cyclohexenyl chloride;chlorocyclohexene;cyclohex-1-enyl chloride;cyclohexen-1-yl chloride;NSC 148275;1-Chlorocyclohexene (ACI);

标识符

MDL：

MFCD00013773

InChIKey：

BUAKPITZELZWNI-UHFFFAOYSA-N

Inchi：

1S/C6H9Cl/c7-6-4-2-1-3-5-6/h4H,1-3,5H2

SMILES：

ClC1CCCCC=1

1-氯环己烯(930-66-5)物化性质

实验特性

LogP : 2.68310
PSA : 0.00000
折射率 : 1.4797
沸点 : 110.59°C (rough estimate)
闪点 : 35.9°C
密度 : 1.0361

计算特性

精确分子量 : 116.03900
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 116.039
重原子数量 : 7
复杂度 : 84.2
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） : 2.6
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 0A^2

1-氯环己烯(930-66-5)海关数据

海关编码：

2903890090

海关数据：

中国海关编码：

2903890090

概述：

2903890090. 其他环烷烃、环烯烃或环萜烯烃的卤化衍生物. 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

Summary：

2903890090. halogenated derivatives of cyclanic, cyclenic or cyclotherpenic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

1-氯环己烯(930-66-5)推荐厂家更多厂家(9)

公司名称	手机号/电话	联系人	QQ	询单
湖北诺纳科技有限公司	17386169806 027-59209883	张经理	1141855188	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
湖北实兴化工有限公司	13554155445 13554155445	石小姐	1273554433	询单
湖北瑞科化工有限公司	13545904560	石经理	1689694891	询单
明仕集团有限公司	18669908765 0533-6271845	王媛媛		询单
武汉市铭业科技发展有限公司		滕利萍	1453932661	询单
武汉和中生化		陈霞		询单
南京恒旺生物医药有限公司				询单
上海翱跃化工科技有限公司				询单

1-氯环己烯(930-66-5)合成路线

合成路线：1 步

108-94-1

_93%

930-66-5

反应条件：

1.1 Reagents: Triphenylphosphine Solvents: Carbon tetrachloride

参考文献：

Reactions of triphenylphosphine in carbon tetrachloride with enolizable ketones

Isaacs, Neil S.; Kirkpatrick, D., Journal of the Chemical Society, 1972, (8), 443-4

合成路线：1 步

108-94-1

_86%

930-66-5

反应条件：

1.1 Reagents: Phosphorus pentachloride Solvents: 1,4-Dioxane ; 30 - 40 °C; 5 h, 40 °C → reflux
1.2 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene Catalysts: Potassium iodide , Sodium amide Solvents: 1,4-Dioxane ; 8 h, rt → 80 °C

参考文献：

Method for preparing heteroatom-containing cyclohexene halide from heteroatom-containing cyclohexanone

, China, , ,

合成路线：1 步

108-94-1

_85%

930-66-5

反应条件：

1.1 Reagents: Phosphorus pentachloride Solvents: Dichloromethane ; overnight, reflux
1.2 Reagents: Water ; cooled

参考文献：

Structure and Dynamic Features of an Intramolecular Frustrated Lewis Pair

Axenov, Kirill V.; Moemming, Cornelia M.; Kehr, Gerald; Froehlich, Roland; Erker, Gerhard, Chemistry - A European Journal, 2010, 16(47), 14069-14073

合成路线：1 步

108-94-1

_82%

930-66-5

反应条件：

1.1 Reagents: Phosphorus trichloride Solvents: Heptane ; 2 h, 72 °C; 0.5 h, 72 °C; 72 °C → 0 °C
1.2 Reagents: Sodium hydroxide Solvents: Water

参考文献：

Synthesis of cycloalkenyl-1-boronic acid pinacol ester

, China, , ,

合成路线：1 步

108-94-1

_82%

930-66-5

反应条件：

1.1 Reagents: Phosphorus pentachloride Solvents: Heptane ; 2 h, 70 - 74 °C; 0.5 h, 70 - 74 °C; 74 °C → 0 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ; 1 h, 0 °C

参考文献：

Method for manufacturing cyclopentene/cyclohexene-1-pinacol borate

, China, , ,

合成路线：1 步

108-94-1

_80%

930-66-5

反应条件：

1.1 Reagents: Phosphorus pentachloride Solvents: Dichloromethane ; 16 h

参考文献：

Synthesis, Characterization and Application of a New Functionalized Polymeric Sorbent Based on Alkenylphoshine Oxide

Frynas, Slawomir ; Wawrzkiewicz, Monika, Polymers (Basel, 2023, 15(6),

合成路线：1 步

17497-53-9

75-09-2

_64%

930-66-5

反应条件：

1.1 Solvents: Dichloromethane

参考文献：

Photochemistry of alkyl halides. 10. Vinyl halides and vinylidene dihalides

Kropp, Paul J.; McNeely, Steven A.; Davis, Robert Drummond, Journal of the American Chemical Society, 1983, 105(23), 6907-15

合成路线：1 步

33645-99-7

_64%

930-66-5

反应条件：

1.1 Solvents: Ethanol

参考文献：

The stereochemistry of radical additions. II. The radical and ionic addition of hydrogen bromide to 1-bromo-cyclohexene and 1-chlorocyclohexene

Goering, Harlan L.; Sims, Leslie L., Journal of the American Chemical Society, 1955, 77, 3465-9

合成路线：1 步

108-94-1

_48%

930-66-5

反应条件：

1.1 Reagents: Phosphorus oxychloride , Phosphorus pentachloride

参考文献：

A direct synthesis of 1-cycloalkenylphosphonates

Banerjee, Shyamal; Engel, Robert; Axelrad, George, Phosphorus and Sulfur and the Related Elements, 1983, 15(1), 15-18

合成路线：1 步

108-94-1

_46%

930-66-5

反应条件：

1.1 Reagents: Sodium hydroxide , Phosphorus pentachloride

参考文献：

Synthesis and Reactivity of Functionalized Spiro-Compounds

Seidel, Thomas, 2003, , ,

合成路线：1 步

108-94-1

_45%

930-66-5

反应条件：

1.1 Reagents: Triethylamine Solvents: Benzene

参考文献：

Phosphorus organic compounds. XVII. Reactions with triphenylphosphine dihalides; the reaction path of halogen introduction or dehydration by phosphorus halides

Horner, Leopold; Oediger, Hermann; Hoffmann, Hellmut, Justus Liebigs Annalen der Chemie, 1959, 626, 26-34

合成路线：1 步

108-94-1

_40%

930-66-5

反应条件：

1.1 Solvents: Diethyl ether

参考文献：

Behavior of nonaromatic halides and ethers toward phenyllithium

Wittig, Georg; Harborth, Gunther, Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen, 1944, 77, 306-14

合成路线：1 步

108-94-1

_34%

930-66-5

反应条件：

1.1 Reagents: Sodium tert-butoxide

参考文献：

Coupling reactions of 1-chlorocyclopentene, 1-chlorocyclohexene, and 1-chlorocycloheptene with phenyllithium. The question of cycloallenic intermediates

Montgomery, Lawrence K.; Applegate, Lynn E., Journal of the American Chemical Society, 1967, 89(12), 2952-60

合成路线：1 步

108-94-1

_30%

930-66-5

反应条件：

1.1 Catalysts: Scandium triflate Solvents: Ethyl acetate ; rt → reflux; 10 min, reflux
1.2 Catalysts: Dimethylformamide
1.3 Reagents: Triphosgene Solvents: Ethyl acetate ; 8 h, reflux
1.4 Reagents: Ammonia

参考文献：

First Catalytic and Green Synthesis of Aryl-(Z)-vinyl Chlorides and Its Plausible Addition-Elimination Mechanism

Su, Weike; Jin, Can, Organic Letters, 2007, 9(6), 993-996

合成路线：1 步

108-94-1

_25%

930-66-5

反应条件：

1.1 Reagents: Phosphorus pentachloride ; 0 °C; 14 h, 0 °C → rt
1.2 Solvents: Water ; rt → 70 °C; 70 °C → rt
1.3 Reagents: Potassium tert-butoxide Solvents: Diethyl ether ; 16 h, rt

参考文献：

Preparation of Highly Reactive Lithium Metal Dendrites for the Synthesis of Organolithium Reagents

Crockett, Michael P. ; Aguirre, Lupita S. ; Jimenez, Leonel B. ; Hsu, Han-Hsiang ; Thomas, Andy A., Journal of the American Chemical Society, 2022, 144(36), 16631-16637

合成路线：1 步

108-94-1

_25%

930-66-5

反应条件：

1.1 Reagents: Phosphorus pentachloride Solvents: Water ; rt → 0 °C; 14 h, 0 °C → rt
1.2 Reagents: Potassium tert-butoxide Solvents: Diethyl ether ; 16 h, rt

参考文献：

Preparation of highly reactive lithium metal dendrites for the synthesis of organolithium reagents

Crockett, Michael P.; Aguirre, Lupita S.; Jimenez, Leonel B.; Hsu, Han-Hsiang; Thomas, Andy A., ChemRxiv, 2022, 1, 1-15

合成路线：1 步

108-94-1

_21%

930-66-5

反应条件：

1.1 Reagents: Pyridine , Triphosgene Solvents: Dichloromethane ; 16 h, 35 °C

参考文献：

Synthesis of Vinyl Chlorides via Triphosgene-Pyridine Activation of Ketones

Saputra, Mirza A.; Ngo, Ly; Kartika, Rendy, Journal of Organic Chemistry, 2015, 80(17), 8815-8820

合成路线：1 步

108-94-1

930-66-5

反应条件：

1.1 Reagents: Phosphorus pentachloride Solvents: Chloroform ; 0 °C; 2 h, rt; 2 h, reflux

参考文献：

Nickel-Catalyzed Electroreductive Syntheses of Triphenylenes Using ortho-Dihalobenzene-Derived Benzynes

Li, Zhao-Ming; Shuai, Bin; Ma, Cong; Fang, Ping; Mei, Tian-Sheng, Chinese Journal of Chemistry, 2022, 40(19), 2335-2344

合成路线：1 步

126-99-8

74-85-1

930-66-5

参考文献：

The origin of the halogen effect on reactivity and reversibility of Diels-Alder cycloadditions involving furan

Pieniazek, Susan N.; Houk, Kendall N., Angewandte Chemie, 2006, 45(9), 1442-1445

合成路线：1 步

108-94-1

930-66-5

参考文献：

Product subclass 34: vinylsilanes

Oshima, K., Science of Synthesis, 2002, 4, 713-756

1-氯环己烯(930-66-5)上下游

Cyclohexene, 1-iodo- 1-环己烯-1-甲酸甲酯 1-溴-1-环己烯环己烯甲酸

1-氯环己烯(930-66-5)相关文献

1. 442. Allenes. Part III. The synthesis of cyclic allenes
W. J. Ball,S. R. Landor J. Chem. Soc. 1962 2298
2. 123. Mechanism and stereochemistry of the addition of nitrogen dioxide to olefins
J. C. D. Brand,I. D. R. Stevens J. Chem. Soc. 1958 629
3. 410. Alkenylation by use of lithium alkenyls. Part I. The condensation of isobutenyl-lithium with benzaldehyde and acetophenone, and the oxotropic rearrangement of the resulting carbinols. (Studies in molecular rearrangement. Part III.)
E. A. Braude,C. J. Timmons J. Chem. Soc. 1950 2000
4. Stereodivergent routes in organic synthesis: marine natural products, lactones, other natural products, heterocycles and unnatural compounds
Carmen Nájera,Francisco Foubelo,José M. Sansano,Miguel Yus Org. Biomol. Chem. 2020 18 1279
5. Lewis acid catalysis of the ene addition of chloral and bromal to olefins; product studies
Jill P. Benner,G. Bryon Gill,Stephen J. Parrott,Brian Wallace J. Chem. Soc. Perkin Trans. 1 1984 291
6. 414. Reactions of some alkyl chloroformates
K. W. Buck,A. B. Foster J. Chem. Soc. 1963 2217
7. 413. Alkenylation by use of lithium alkenyls. Part IV. The condensation of cyclohexenyl-lithium with aldehydes and ketones, and some reactions of the resulting carbinols. (Studies in molecular rearrangement. Part V.)
E. A. Braude,J. A. Coles J. Chem. Soc. 1950 2014
8. 43. Rubber, polyisoprenes, and allied compounds. Part VI. The mechanism of halogen-substitution reactions, and the additive halogenation of rubber and of dihydromyrcene
George F. Bloomfield J. Chem. Soc. 1944 114
9. Regioselective dihydroarene oxide formation during ortho-hydroxylation of halogenobenzenes by fungi
Barbara J. Auret,Suresh K. Balani,Derek R. Boyd,Ruth M. E. Greene,Glenn A. Berchtold J. Chem. Soc. Perkin Trans. 1 1984 2659
10. Photolysis of nitroso-compounds. Part IV. 1-Chloro-1-nitrosocyclohexane and other geminal chloro-nitroso-compounds
Brian G. Gowenlock,Josef Pfab,Günther Kresze J. Chem. Soc. Perkin Trans. 2 1974 511