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氘代乙醇-d1 | 925-93-9

氘代乙醇-d1
Ethanol-d
925-93-9
C2H6O
47.0746026039124
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:氘代乙醇-d1结构式
329759527
氘代乙醇-d1价格
名称和标识符
MDL MFCD00044669
InChIKey LFQSCWFLJHTTHZ-WFVSFCRTSA-N
Inchi 1S/C2H6O/c1-2-3/h3H,2H2,1H3/i3D
SMILES C(O[2H])C
别名信息
- 中文别名 -
  • 乙醇-D1
  • 氚代已醇
  • 氘代乙醇
  • 氘代乙醇-D
  • 氘代乙醇-d1
  • 重氢乙醇
  • 乙醇-d1
- 英文别名 -
  • Ethanol-d (9CI)
  • Ethanol-d
  • 1,1,1,3,3,3-Hexafluoro-2-propan(ol-d)
  • 1,1,1,3,3,3-Hexafluoro-2-propanol-d(1)
  • 1,1,1,3,3,3-hexafluoropropan-2-ol-d1
  • deutero ethanol
  • d-Hexafluorpropanol-2
  • ETHAN(OL-D)
  • ethan[2H]ol
  • ETHANOL D1
  • ETHANOL-D1
  • ETHANOL-D1, (CONTAINS 5 PERCENT D2O)
  • ethanol-O-d
  • ethyl alcohol-d
  • ETHYL ALCOHOL-OD
  • Hexafluorisopropylalkohol-d(1)
  • hexafluoroisopropan(ol-d)
  • O-deuterio-1,1,1,3,3,3-hexafluoro-propan-2-ol
  • O-deuterioethanol
  • Ethyl alcohol-d (6CI, 8CI)
  • Ethanol (C2H5OD)
  • Ethanol-d1
物化性质
实验特性
LogP -0.00140
PSA 20.23000
折射率 n20/D 1.359(lit.)
沸点 78 °C(lit.)
熔点 -114 °C (lit.)
闪点 华氏:57.2 °F
摄氏:14 °C
浓度 95% in D2O
颜色与性状 未确定
PH值 7.0 (10g/l, H2O, 20℃)
稳定性 Stable. Highly flammable. Incompatible with oxidizing agents, acids, acid chlorides, alkali metals, ammonia, moisture, peroxides.
溶解性 未确定
密度 0.806 g/mL at 25 °C
计算特性
精确分子量 47.04810
氢键供体数量 1
氢键受体数量 1
可旋转化学键数量 0
重原子数量 3
复杂度 2.8
同位素原子数量 1
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) -0.1
互变异构体数量
表面电荷 0
安全信息
符号: GHS02
WGK Germany 1
安全术语 3.1
安全说明 S16-S7
包装等级 II
风险术语 R11
危险品标志 F F
危险品运输编号 UN 1170 3/PG 2
危害声明 H225
警示性声明 P210
储存条件 Flammablesarea
PackingGroup II
危险类别码 11
信号词 Danger
爆炸极限值(explosive limit) 3.5-15%(V)
HazardClass 3.1
国际标准相关数据
EINECS 213-128-9
海关数据
海关编码 28459000
合成路线

合成路线:1 步

反应条件:
参考文献:
Preparation of the α-[D]galvinoxyl radical
Tsiao, C.; Wild, C.; Gu, J.; Dorn, H. C., Journal of Labelled Compounds and Radiopharmaceuticals, 1991, 29(8), 945-8

合成路线:1 步

反应条件:
参考文献:
Synthesis, reactivity and catalytic properties of the allenylidene [Ru(C:C:CPh2)Cp(PTA)(PPh3)](CF3SO3) (PTA = 1,3,5-triaza-7-phosphaadamantane)
Serrano-Ruiz, Manuel; Lidrissi, Chaker; Manas, Sonia; Peruzzini, Maurizio; Romerosa, Antonio, Journal of Organometallic Chemistry, 2014, 751, 654-661

合成路线:1 步

反应条件:
参考文献:
Carbon-hydrogen activation in aqueous medium. The diverse roles of platinum(II) and metallic platinum in the catalytic and stoichiometric oxidative functionalization of organic substrates including alkanes
Sen, Ayusman; Lin, Minren; Kao, Lien Chung; Hutson, Alan C., Journal of the American Chemical Society, 1992, 114(16), 6385-92

合成路线:1 步

反应条件:
参考文献:
On the tandem Morita-Baylis-Hillman/transesterification processes. Mechanistic insights for the role of protic solvents
Carpanez, Arthur G.; Coelho, Fernando; Amarante, Giovanni W., Journal of Molecular Structure, 2018, 1154, 83-91

合成路线:1 步

参考文献:
Effect of selenium on the catalytic reactivity of iron(II) chloride in the reduction of aromatic epoxide to olefin
Yanada, Kazuo; Yanada, Reiko; Meguri, Haruo, Chemical & Pharmaceutical Bulletin, 1989, 37(12), 3423-5

合成路线:1 步

参考文献:
Stereochemistry of nucleophilic conjugate addition. Addition of ethanol-d and 2-methyl-2-propanethiol-d to ethyl crotonate
Mohrig, Jerry R.; Fu, Sabrina S.; King, Randall W.; Warnet, Ronald; Gustafson, Gary, Journal of the American Chemical Society, 1990, 112(9), 3665-7

合成路线:1 步

参考文献:
Synthesis of ethanol-d
Pasto, Daniel J.; Meyer, Gilbert Richard, Journal of Organic Chemistry, 1968, 33(3),

合成路线:1 步

反应条件:
参考文献:
Preparation of mono-deuterated ethanol
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of deuterated compounds by tower equipment
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Actinide-Catalyzed Intermolecular Addition of Alcohols to Carbodiimides
Batrice, Rami J.; Kefalidis, Christos E.; Maron, Laurent; Eisen, Moris S., Journal of the American Chemical Society, 2016, 138(7), 2114-2117

合成路线:1 步

反应条件:
参考文献:
Pincer Ru and Os complexes as efficient catalysts for racemization and deuteration of alcohols
Bossi, Gianluca; Putignano, Elisabetta; Rigo, Pierluigi; Baratta, Walter, Dalton Transactions, 2011, 40(35), 8986-8995

合成路线:1 步

参考文献:
Spirans. IV. Long range shielding effects by benzene, thiophene, and furan rings in the proton magnetic resonance spectra of diaryl spiro ketones
de Jongh, H. A. P.; Wynberg, H., Tetrahedron, 1965, 21(3), 515-33

合成路线:1 步

反应条件:
参考文献:
Valuable new platform chemicals obtained by valorisation of a model succinic acid and bio-succinic acid with an ionic liquid and high-pressure carbon dioxide
Silva, Daniel; Bogel-Lukasik, Ewa, Green Chemistry, 2017, 19(17), 4048-4060

合成路线:1 步

反应条件:
参考文献:
Ethanol as a Hydrogenating Agent: Palladium-Catalyzed Stereoselective Hydrogenation of Ynamides to Give Enamides
Siva Reddy, Alla; Kumara Swamy, K. C., Angewandte Chemie, 2017, 56(24), 6984-6988

合成路线:1 步

反应条件:
参考文献:
Reaction of protonated tert-butoxy radicals with alkynes. Electron spin resonance spectra of alkoxyalkene and 1,2-dialkoxyalkene radical cations
Bloodworth, A. J.; Davies, Alwyn G.; Hay-Motherwell, Robyn S., Journal of the Chemical Society, 1988, (13), 862-3

合成路线:1 步

反应条件:
参考文献:
An improved procedure for the preparation of very pure ethanol-OD
Pesendorfer, Johann; Vierhapper, Friedrich W., Monatshefte fuer Chemie, 1985, 116(6-7), 877-8

合成路线:1 步

参考文献:
Metal catalysis in oxidation by peroxides. Part 19. On the mechanism of rhodium-catalyzed oxidation of terminal olefins to methyl ketones by dioxygen
Bortolini, Olga; Di Furia, Fulvio; Modena, Giorgio; Seraglia, Roberta, Journal of Molecular Catalysis, 1984, 22(3), 313-17

合成路线:1 步

参考文献:
Deuterated alcohols
Beger, Joerg, Abhandlungen der Deutschen Akademie der Wissenschaften zu Berlin, 1965, 9(1963), 693-9

合成路线:1 步

反应条件:
参考文献:
Catalytic Nitrile Hydration with [Ru(η6-p-cymene)Cl2(PR2R')] Complexes: Secondary Coordination Sphere Effects with Phosphine Oxide and Phosphinite Ligands
Knapp, Spring Melody M.; Sherbow, Tobias J.; Yelle, Robert B.; Juliette, J. Jerrick; Tyler, David R., Organometallics, 2013, 32(13), 3744-3752

合成路线:1 步

反应条件:
参考文献:
Ruthenium-catalyzed selective transetherification of substituted vinyl ethers to form acetals and aldehydes
Saoud, Mustapha; Romerosa, Antonio; Carpio, Sonia Manas; Gonsalvi, Luca; Peruzzini, Maurizio, European Journal of Inorganic Chemistry, 2003, (8), 1614-1619
相关文献
专业数据库参考
PubChemId 329759527
参考资料
Beilstein 1731246
化合物详情(旧版)

SMILES

[2D]OCC

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