找化学品上960化工网!
960化工网

环十二酮 | 830-13-7

环十二酮
Cyclododecanone
830-13-7
C12H22O
182.302484035492
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:环十二酮结构式
13246
环十二酮价格
名称和标识符
MDL MFCD00003722
InChIKey SXVPOSFURRDKBO-UHFFFAOYSA-N
Inchi 1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
SMILES O=C1CCCCCCCCCCC1
BRN 508621
别名信息
- 中文别名 -
  • 环十二酮
  • 环十二烷基酮
  • Cyclododecanone 环十二酮
  • 环十二酮(CDON)
  • 环十二碳酮
- 英文别名 -
  • Cyclododecanone
  • Cyclododecanone (CDON)
  • NSC 77116
  • SXVPOSFURRDKBO-UHFFFAOYSA-N
  • cyclododecan-1-one
  • WL053118A9
  • Cyclododecanone, 99+%
  • DSSTox_CID_7322
  • DSSTox_RID_78407
  • DSSTox_GSID_27322
  • cyclododecanon
  • NSC77116
  • CDON
  • Cyclododecanone, >=99%
  • KSC448S4J
  • Tox21_303048
  • Tox21_201557
  • 6022AF
  • SBB060076
  • BBL019121
  • STK301634
  • RT
  • SY050015
  • CYCLODODECANONE [HSDB]
  • F0001-2129
  • D97449
  • MFCD00003722
  • AKOS000118913
  • AS-10382
  • SCHEMBL190509
  • EN300-19193
  • EINECS 212-595-6
  • NCGC00256984-01
  • DTXSID3027322
  • NCGC00163980-02
  • 830-13-7
  • NCGC00259106-01
  • CYCLODODECANONE
  • Z104473098
  • NCGC00163980-01
  • W-109097
  • DTXCID707322
  • FT-0624164
  • NS00005390
  • HSDB 5762
  • CHEMBL1883853
  • CS-W017092
  • InChI=1/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H
  • UNII-WL053118A9
  • Q1147500
  • EC 212-595-6
  • 1-CYCLODODECANONE
  • NSC-77116
  • CHEBI:177614
  • CAS-830-13-7
物化性质
实验特性
LogP 3.86020
PSA 17.07000
折射率 1.4571 (estimate)
沸点 113°C/13mmHg(lit.)
熔点 61.0 to 63.0 deg-C
闪点 华氏:244.4 °F
摄氏:118 °C
溶解度 0.045g/l
颜色与性状 未确定
溶解性 未确定
密度 0.906 g/mL at 25 °C(lit.)
计算特性
精确分子量 182.16700
氢键供体数量 0
氢键受体数量 1
可旋转化学键数量 0
同位素质量 182.167065321 g/mol
重原子数量 13
复杂度 126
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) 4.2
互变异构体数量 2
表面电荷 0
拓扑分子极性表面积 17.1
分子量 182.30
国际标准相关数据
EINECS 5762
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%

合成路线

合成路线:1 步

反应条件:
参考文献:
Synthetic methods and reactions. 85. Reduction of α-halo ketones with sodium iodide/chlorotrimethylsilane
Olah, George A.; et al, Journal of Organic Chemistry, 1980, 45(17), 3531-2

合成路线:1 步

反应条件:
参考文献:
One-pot conversion of olefins to carbonyl compounds by hydroboration/NMO-TRAP oxidation
Yates, Matthew H., Tetrahedron Letters, 1997, 38(16), 2813-2816

合成路线:1 步

反应条件:
参考文献:
Purification and characterization of an enone reductase from Sporidiobolus salmonicolor TPU 2001 reacting with large monocyclic enones
Yamamoto, Kazunori ; et al, ChemCatChem, 2017, 9(19), 3697-3704

合成路线:1 步

反应条件:
参考文献:
An efficient protocol for the oxidative hydrolysis of ketone SAMP hydrazones employing SeO2 and H2O2 under buffered (pH 7) conditions
Smith, Amos B. III; et al, Synlett, 2009, (19), 3131-3134

合成路线:1 步

参考文献:
Reductive dehydrogenation of α-halo carbonyl compounds using sodium hydrogen telluride
Yamashita, Masakazu; et al, Science and Engineering Review of Doshisha University, 1984, 25(2), 117-23

合成路线:1 步

反应条件:
参考文献:
Reductive dehalogenation of polyhalo ketones with low-valent metals and related reducing agents
Noyori, Ryoji; et al, Organic Reactions (Hoboken, 1983, 29,

合成路线:1 步

反应条件:
参考文献:
Palladium(II)-catalyzed acetal/ketal hydrolysis/exchange reactions
Lipshutz, Bruce H.; et al, Tetrahedron Letters, 1985, 26(6), 705-8

合成路线:1 步

反应条件:
参考文献:
Acetal-induced cleavage of carbon-carbon bond of MEM ethers (E)-4-alkyl-1-trimethylsilyl-1-alken-4-ols providing ketones
Horiuchi, Yoshihiro; et al, Tetrahedron Letters, 1994, 35(43), 7977-80

合成路线:1 步

反应条件:
参考文献:
Deprotection of dithioacetals with 30% hydrogen peroxide catalyzed by tantalum(V) chloride-sodium iodide or niobium(V) chloride-sodium iodide
Kirihara, Masayuki; et al, Tetrahedron, 2012, 68(5), 1515-1520

合成路线:1 步

反应条件:
参考文献:
Dioxirane oxidations of compounds other than alkenes
Adam, Waldemar; et al, Organic Reactions (Hoboken, 2007, 69, 1-346

合成路线:1 步

反应条件:
参考文献:
Oxidative Debenzylation of N-Benzyl Amides and O-Benzyl Ethers Using Alkali Metal Bromide
Moriyama, Katsuhiko; et al, Organic Letters, 2014, 16(14), 3812-3815

合成路线:1 步

反应条件:
参考文献:
Addition of organochromium reagents to carbonyl compounds
Takai, Kazuhiko, Organic Reactions (Hoboken, 2004, 64,

合成路线:1 步

反应条件:
参考文献:
Isomerization of trans-1,2-epoxy-cis,trans-5,9-cyclododecadiene, trans-1,2-epoxy-trans,trans-5,9-cyclododecadiene, and trans-epoxycyclododecane to the corresponding ketones under the action of lithium and magnesium bromides and iodides
Zakharkin, L. I.; et al, Zhurnal Organicheskoi Khimii, 1990, 26(7), 1497-500

合成路线:1 步

反应条件:
参考文献:
Oxidative cleavage of oximes with silica-gel-supported chromic acid in nonaqueous media
Ali, Mohammed Hashmat; et al, Synthetic Communications, 2006, 36(12), 1761-1767

合成路线:1 步

反应条件:
参考文献:
A convenient oxidative dethioacetalization of 1,3-dithiolanes and 1,3-dithianes with iron(III) nitrate and montmorillonite K10 in hexane
Hirano, Masao; et al, Synthesis, 1997, (8), 858-860

合成路线:1 步

反应条件:
参考文献:
CCl3CN: A crucial promoter of mCPBA-mediated direct ether oxidation
Kamijo, Shin; et al, Organic Letters, 2010, 12(18), 4195-4197

合成路线:1 步

反应条件:
参考文献:
Amberlyst 15, a superior, mild, and selective catalyst for carbonyl regeneration from nitrogeneous derivatives
Ballini, Roberto; et al, Journal of the Chemical Society, 1988, (9), 2563-5

合成路线:1 步

反应条件:
参考文献:
Oxidation of primary amines to ketones
Corey, Elias J.; et al, Journal of the American Chemical Society, 1969, 91(6), 1429-32

合成路线:1 步

反应条件:
参考文献:
Producing cyclododecanone from cyclododecanol by continuous dehydrogenation in liquid-solid-phase fixed-bed
Teng, Hanqiang, Huagong Shikan, 2002, 16(8), 41-44

合成路线:1 步

反应条件:
参考文献:
Oxidation of ethers by nitrogen dioxide in the presence of silica gel
Nishiguchi, Takeshi; et al, Journal of the Chemical Society, 1990, (22), 1607-8

合成路线:1 步

反应条件:
参考文献:
Visible light photoredox catalyzed deprotection of 1,3-oxathiolanes
Yang, Mingyang; et al, Organic & Biomolecular Chemistry, 2020, 18(2), 288-291

合成路线:1 步

反应条件:
参考文献:
A highly efficient procedure for regeneration of carbonyl groups from their corresponding oxathioacetals and dithioacetals using sodium nitrite and acetyl chloride in dichloromethane
Khan, Abu T.; et al, Synlett, 2003, (3), 377-381

合成路线:1 步

反应条件:
参考文献:
Oxidative Debenzylation of N-Benzyl Amides and O-Benzyl Ethers Using Alkali Metal Bromide
Moriyama, Katsuhiko; et al, Organic Letters, 2014, 16(14), 3812-3815

合成路线:1 步

反应条件:
参考文献:
Chromium(VI) or ruthenium(II) complex catalysis in oxidation of alcohols to aldehydes and ketones by means of bis(trimethylsilyl) peroxide
Kanemoto, Shigekazu; et al, Bulletin of the Chemical Society of Japan, 1988, 61(10), 3607-12

合成路线:1 步

反应条件:
参考文献:
Selective Oxidation of Alcohols with Alkali Metal Bromides as Bromide Catalysts: Experimental Study of the Reaction Mechanism
Moriyama, Katsuhiko; et al, Journal of Organic Chemistry, 2014, 79(13), 6094-6104

合成路线:1 步

反应条件:
参考文献:
Polymer supported nitrobenzaldehyde: efficient, highly selective catalytic, deprotection of oxathioacetals
Ravindranathan, T.; et al, Tetrahedron Letters, 1994, 35(47), 8835-8

合成路线:1 步

反应条件:
参考文献:
A simple and convenient method for the cleavage of dithio acetals to the corresponding carbonyl compounds
Cossy, J., Synthesis, 1987, (12), 1113-15

合成路线:1 步

反应条件:
参考文献:
Environmentally benign deprotection of dithioacetals using 30% hydrogen peroxide catalyzed by Fe(acac)3 and sodium iodide
Kirihara, Masayuki; et al, Tetrahedron Letters, 2013, 54(40), 5477-5480

合成路线:1 步

反应条件:
参考文献:
Lithium aluminum Hydride-Chromium(III) chloride
Gillespy, Timothy A., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, 1, 1-2

合成路线:1 步

反应条件:
参考文献:
Highly efficient chemoselective deprotection of O,O-acetals and O,O-ketals catalyzed by molecular iodine in acetone
Sun, Jianwei; et al, Journal of Organic Chemistry, 2004, 69(25), 8932-8934

合成路线:1 步

反应条件:
参考文献:
Considered as synthetic methods and reactions. 183. Efficient and mild oxidation of ketoximes to their parent ketones with dimethyldioxirane
Olah, George A.; et al, Synlett, 1993, (6), 427-9

合成路线:1 步

反应条件:
参考文献:
5-tert-Butyl-2-hydroxy-1,4-benzoquinone
Yamamoto, Kana, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2014, 1, 1-3
相关文献
专业数据库参考
PubChemId 13246
参考资料
Reaxys RN 508621
Beilstein 7(2)48
化合物详情(旧版)

SMILES

O=C1CCCCCCCCCCC1

环十二酮推荐生产厂家
960化工网为您提供环十二酮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.:830-13-7,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:830-13-7
平台客服 平台客服

平台在线客服