找化学品上960化工网!
960化工网

1-氯金刚烷 | 935-56-8

1-氯金刚烷
1-Chloroadamantane
935-56-8
C10H15Cl
170.679102182388
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-氯金刚烷结构式
64154
1-氯金刚烷价格
名称和标识符
MDL MFCD00075627
InChIKey OZNXTQSXSHODFR-UHFFFAOYSA-N
Inchi 1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
SMILES ClC12CC3CC(C1)CC(C3)C2
别名信息
- 中文别名 -
  • 1-氯金刚烷
  • 1-氯代金刚烷
  • 1-氯金刚烷 (升华提纯)
  • 1-Chloroadamantane 1-氯金刚烷
  • 金刚烷胺相关化合物A USP标准品
  • 1-金刚烷基氯 (升华提纯)
- 英文别名 -
  • 1-Chloroadamantane
  • 1-Chloroadamantane (purified by sublimation)
  • 1-adamantylchloride
  • 1-chloro-adamantane
  • 3-Chloroadamantane
  • Adamantane,1-chloro
  • Adamantyl chloride
  • chloroadamantane
  • 1-Adamantyl Chloride (purified by sublimation)
  • 1-Chlorotricyclo[3.3.1.13,7]decane
  • 1-Chlorotricyclo[3.3.1.1(3,7)]decane
  • 1-Adamantyl Chloride
  • Adamantane, 1-chloro-
  • Tricyclo[3.3.1.13,7]decane, 1-chloro-
  • OZNXTQSXSHODFR-UHFFFAOYSA-N
  • 1-chlorotricyclo[3.3.1.1~3,7~]decane
  • Tricyclo(3.3.1.13,7)decane, 1-chloro-
  • C10H15Cl
  • 1-chloranyladamantane
  • PubChem8769
  • Tricyclo(3.3.1.1(3,7))d
  • 1-Chlorotricyclo[3.3.1.13,7]decane (ACI)
  • Adamantane, 1-chloro- (6CI, 7CI, 8CI)
  • 1-Adamantyl chloride
  • NSC 143629
物化性质
实验特性
LogP 3.19400
PSA 0.00000
折射率 1.6012 (estimate)
水溶性 Poorly soluble in water. Soluble in hydrocarbons. But readily soluble in nonpolar organic solvents.
沸点 211.58°C (rough estimate)
熔点 165-166 °C (lit.)
闪点 82.3 °C
颜色与性状 未确定
溶解性 未确定
密度 1.0492 (rough estimate)
计算特性
精确分子量 170.08600
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 170.086228
重原子数量 11
复杂度 144
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) 3.4
互变异构体数量
表面电荷 0
拓扑分子极性表面积 0
国际标准相关数据
EINECS 143629
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%

合成路线

合成路线:1 步

反应条件:
参考文献:
Catalytic Decarboxylation/Carboxylation Platform for Accessing Isotopically Labeled Carboxylic Acids
Tortajada, Andreu ; Duan, Yaya; Sahoo, Basudev ; Cong, Fei; Toupalas, Georgios; et al, ACS Catalysis, 2019, 9(7), 5897-5901

合成路线:1 步

反应条件:
参考文献:
Chlorination method and catalyst system for the synthesis of 1- and 2-chloroadamantanes from 1- and 2-adamantanols and chloroform
, Russian Federation, , ,

合成路线:1 步

反应条件:
参考文献:
Triphenylphosphine/Dichloroselenurane: A new reagent for a selective conversion of alcohols into alkyl chlorides
Drabowicz, Jozef; Luczak, Jerzy; Mikolajczyk, Marian, Journal of Organic Chemistry, 1998, 63(25), 9565-9568

合成路线:1 步

反应条件:
参考文献:
Method of synthesis of 1-chloroadamantane and chlorodiamantanes
, Russian Federation, , ,

合成路线:1 步

反应条件:
参考文献:
2-Ethyl-3-(4-hydroxybenzoyl)benzofuran compounds and their preparation, pharmaceutical compositions and use in the treatment of hyperuricemia and gout
, China, , ,

合成路线:1 步

参考文献:
Thermolysis of N,N-dihalo derivatives of bridgehead and neopentylamines to the corresponding halides
Roberts, John T.; Rittberg, Barry R.; Kovacic, Peter; Scalzi, Francis V.; Seely, Michael J., Journal of Organic Chemistry, 1980, 45(26), 5239-43

合成路线:1 步

反应条件:
参考文献:
Chlorination of adamantane and its derivatives by carbon tetrachloride in the presence of manganese, vanadium, and molybdenum-containing catalysts
Khusnutdinov, R. I.; Shchadneva, N. A.; Baiguzina, A. R.; Lavrent'eva, Yu. Yu.; Burangulova, R. Yu.; et al, Neftekhimiya, 2004, 44(2), 148-155

合成路线:1 步

反应条件:
参考文献:
Photochemical chlorodecarboxylation via an electron transfer mechanism
Okada, Keiji; Okamoto, Kazushige; Oda, Masaji, Journal of the Chemical Society, 1989, (21), 1636-7

合成路线:1 步

反应条件:
参考文献:
Silver-catalyzed decarboxylative chlorination of aliphatic carboxylic acids
Wang, Zhentao; Zhu, Lin; Yin, Feng; Su, Zhongquan; Li, Zhaodong; et al, Journal of the American Chemical Society, 2012, 134(9), 4258-4263

合成路线:1 步

反应条件:
参考文献:
Direct chlorination of alcohols: synthesis of ethyl 3-chloro-3-phenylpropanoate [benzenepropanoic acid, β-chloro-, ethyl ester]
Yasuda, Makoto; Yamasaki, Satoshi; Onishi, Yoshiyuki; Baba, Akio, Organic Syntheses, 2006, 83, 38-44

合成路线:1 步

反应条件:
参考文献:
Halogen-exchange reactions between alkyl fluorides and boron trihalides or titanium tetrahalides. A convenient synthesis of alkyl halides from alkyl fluorides
Namavari, Mohammad; Satyamurthy, N.; Barrio, Jorge R., Journal of Fluorine Chemistry, 1995, 72(1), 89-93

合成路线:1 步

反应条件:
参考文献:
A simple method for the conversion of adamantyl, benzyl and benzyhydryl alcohols to their corresponding bromides and chlorides and the transhalogenation of adamantyl, benzyl, benzhydryl and tertiary alkyl bromides and chlorides
Amrollah-Madjdabadi, A.; Pham, Tung N.; Ashby, E. C., Synthesis, 1989, (8), 614-16

合成路线:1 步

反应条件:
参考文献:
Synthesis of bridgehead halides by Barton halodecarboxylation
Della, Ernest W.; Tsanaktsidis, John, Australian Journal of Chemistry, 1989, 42(1), 61-9

合成路线:1 步

反应条件:
参考文献:
Preparation of tripartite androgen receptor eliminators useful for treating an androgen receptor signaling-mediated diseases
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Iron(III)-Catalyzed Halogenations by Substitution of Sulfonate Esters
Ortega, Nuria; Feher-Voelger, Andres; Brovetto, Margarita; Padron, Juan I.; Martin, Victor S.; et al, Advanced Synthesis & Catalysis, 2011, 353(6), 963-972

合成路线:1 步

反应条件:
参考文献:
Alkylphosphinites as Synthons for Stabilized Carbocations
Ochmann, Lukas ; Kessler, Mika L.; Schreiner, Peter R., Organic Letters, 2022, 24(7), 1460-1464

合成路线:1 步

反应条件:
参考文献:
Biologically active polycycloalkanes. 1. Antiviral adamantane derivatives
Aigami, Koji; Inamoto, Yoshiaki; Takaishi, Naotake; Hattori, Kenichi; Takatsuki, Akira; et al, Journal of Medicinal Chemistry, 1975, 18(7), 713-21

合成路线:1 步

反应条件:
参考文献:
Method of producing 1-chloroadamantane
, Russian Federation, , ,

合成路线:1 步

反应条件:
参考文献:
Indium-Catalyzed Direct Chlorination of Alcohols Using Chlorodimethylsilane-Benzil as a Selective and Mild System
Yasuda, Makoto; Yamasaki, Satoshi; Onishi, Yoshiyuki; Baba, Akio, Journal of the American Chemical Society, 2004, 126(23), 7186-7187

合成路线:1 步

反应条件:
参考文献:
ROMPgel-Supported Triphenylphosphine with Potential Application in Parallel Synthesis
Aarstad, Erik; Barrett, Anthony G. M.; Hopkins, Brian T.; Koebberling, Johannes, Organic Letters, 2002, 4(11), 1975-1977
专业数据库参考
PubChemId 64154
参考资料
Reaxys RN 1852571
化合物详情(旧版)

SMILES

ClC12CC3CC(CC(C3)C2)C1

960化工网为您提供1-氯金刚烷专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:935-56-8,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等;| WAP 版:935-56-8
平台客服 平台客服

平台在线客服