CAS: 811-98-3; Trideuterio(Deuteriooxy)Methane

该化合物是被除化溶剂,广泛用于核磁共振光谱和其他分析应用,其高同位素纯度能确保质质杂质干扰最小,使其在NMR研究中成为溶剂抑制和结构解析的理想对象. 化合物的化学稳定性和持续脱化水平(99.8 %) 增强了敏感实验的再生性. 甲醇-d4还被用于动能研究,代谢研究以及合成化学中的前体,因此需要在合成化学中作除化. 其低水含量和高纯度适合于要求精确溶剂特性的实验室应用.

英文名称Trideuterio(Deuteriooxy)Methane
中文名称甲醇-d4
IUPAC名称trideuterio(deuteriooxy)methane
其它别名Methanol-d4(6CI,7CI,8CI,9CI); Methyl-d3 alcohol-d; Perdeuterated methanol; Perdeuteratedmethyl alcohol; Perdeuteriomethanol; Perdeuteromethanol; Tetradeuteriomethanol; Tetradeuteromethanol
CAS编号811-98-3
MFCD编号:MFCD00044637
EINECS号:212-378-6
分子式:CD4O
分子量:36.07
产品CID: 1806160
产品分类化学试剂 → 氘代试剂

相似结构搜索
InChIKey: OKKJLVBELUTLKV-MZCSYVLQSA-N
OKKJLVBELUTLKV-MZCSYVLQSA-N…
计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数0.0

物理性质

熔点-99 °C
沸点48.1±3.0 °C at 760 mmHg
闪点11.1±0.0 °C
密度0.8±0.1 g/cm3
PSA:20.23
LogP:-0.72
折射率1.311
蒸汽压265.4±0.1 mmHg at 25°C
溶解性Chloroform (Slightly), Water (Slightly)
敏感性常温常压下稳定，避免强氧化剂酸酸性氯化物酸酐碱金属接触
外观形态无色液体
储存条件保持容器密封保存，储存在阴凉，干燥环境的地方
产品应用该化合物用于分析甘道和诺坎波二甲基甲骨内甲型甲型六氯环己烷的甲氧基化合物组群的汇率.

MSDS等安全信息

GHS象形图
GHS符号GHS02 & GHS06 & GHS08;
注释: Flame & Skull and crossbones & Health hazard
危险类别易燃液体类别2
急性毒性类别3(吸入)
急性毒性类别3(经皮)
急性毒性类别3(经口)
特定目标器官毒性-单次接触类别1
生殖毒性类别1B
特定目标器官毒性-重复接触类别1
严重眼刺激类别2
警示词Danger(危险)
危险描述H225 |高度易燃液体和蒸气.
H331 |吸入会中毒.
H311 |皮肤接触会中毒.
H301 |吞咽会中毒.
H370 |损害器官.
H360 |可能损害生育能力或胎儿.
H372 |长期或反复接触损害器官.
H319 |造成严重眼刺激.
防范说明P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311
危险等级3
UN编号UN 1230 3/PG 2
危险品标志F,T
包装等级II
安全声明7-16-36/37-45
危险类别码11-23/24/25-39/23/24/25
WGK Germany1

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

1664-98-8 = 811-98-3
反应条件:1.1 Reagents: Deuterium Atom; 15 K
标题:Formation Of Deuterated Formaldehyde On Low Temperature Surfaces: Isotope Effect Of Quantum Tunneling Reactions
作者:Hidaka,H.; Et Al
参考文献:Aip Conference Proceedings 日期:2013 卷标:1543 页码:318-325]

= 811-98-3 [标题:Reaction Conditions
标题:Intramolecular Reductive Elimination Of Methane From A Dinuclear Palladium Complex Containing Methyl And Hydride On Adjacent Palladium Centers
作者:Kellenberger,B.; Et Al
参考文献:Journal Of The American Chemical Society 日期:1985 卷标:107(21) 页码:6105-7]

107-31-3 = 811-98-3
反应条件:1.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: Isopropanol; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C2.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: 2-Propan-1,1,1,2,3,3,3-D7-Ol-D; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C
标题:Transfer Hydrogenation Of Organic Formates And Cyclic Carbonates: An Alternative Route To Methanol From Carbon Dioxide
作者:Kim,Seung Hyo; Et Al
参考文献:Acs Catalysis 日期:2014 卷标:4(10) 页码:3630-3636]

= 811-98-3
反应条件:1.1 Catalysts: Sodium Bicarbonate2.1 Catalysts: Lithium Tetrafluoroborate,Lithium Borohydride
标题:Efficient Syntheses And Chemistry Of Indolactam-V And Its Analogs
作者:Masuda,Toshiya; Et Al
参考文献:Agricultural And Biological Chemistry 日期:1989 卷标:53(8) 页码:2257-60]

4427-96-7 = 811-98-3
反应条件:1.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: Isopropanol; 12 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C2.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: 2-Propan-1,1,1,2,3,3,3-D7-Ol-D; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C
标题:Transfer Hydrogenation Of Organic Formates And Cyclic Carbonates: An Alternative Route To Methanol From Carbon Dioxide
作者:Kim,Seung Hyo; Et Al
参考文献:Acs Catalysis 日期:2014 卷标:4(10) 页码:3630-3636]

= 811-98-3
反应条件:1.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: 2-Propan-1,1,1,2,3,3,3-D7-Ol-D; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C
标题:Transfer Hydrogenation Of Organic Formates And Cyclic Carbonates: An Alternative Route To Methanol From Carbon Dioxide
作者:Kim,Seung Hyo; Et Al
参考文献:Acs Catalysis 日期:2014 卷标:4(10) 页码:3630-3636]

124549-56-0 = 811-98-3
反应条件:1.1 Catalysts: Lithium Tetrafluoroborate,Lithium Borohydride
标题:Efficient Syntheses And Chemistry Of Indolactam-V And Its Analogs
作者:Masuda,Toshiya; Et Al
参考文献:Agricultural And Biological Chemistry 日期:1989 卷标:53(8) 页码:2257-60]

104-57-4 = 811-98-3
反应条件:1.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: Isopropanol; 12 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C2.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: 2-Propan-1,1,1,2,3,3,3-D7-Ol-D; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C
标题:Transfer Hydrogenation Of Organic Formates And Cyclic Carbonates: An Alternative Route To Methanol From Carbon Dioxide
作者:Kim,Seung Hyo; Et Al
参考文献:Acs Catalysis 日期:2014 卷标:4(10) 页码:3630-3636]

= 811-98-3
反应条件:1.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: Isopropanol; 12 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C2.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: 2-Propan-1,1,1,2,3,3,3-D7-Ol-D; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C
标题:Transfer Hydrogenation Of Organic Formates And Cyclic Carbonates: An Alternative Route To Methanol From Carbon Dioxide
作者:Kim,Seung Hyo; Et Al
参考文献:Acs Catalysis 日期:2014 卷标:4(10) 页码:3630-3636]

108-32-7 = 811-98-3
反应条件:1.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: Isopropanol; 1 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C2.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: 2-Propan-1,1,1,2,3,3,3-D7-Ol-D; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C
标题:Transfer Hydrogenation Of Organic Formates And Cyclic Carbonates: An Alternative Route To Methanol From Carbon Dioxide
作者:Kim,Seung Hyo; Et Al
参考文献:Acs Catalysis 日期:2014 卷标:4(10) 页码:3630-3636]

109-94-4 = 811-98-3
反应条件:1.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: Isopropanol; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C2.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: 2-Propan-1,1,1,2,3,3,3-D7-Ol-D; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C
标题:Transfer Hydrogenation Of Organic Formates And Cyclic Carbonates: An Alternative Route To Methanol From Carbon Dioxide
作者:Kim,Seung Hyo; Et Al
参考文献:Acs Catalysis 日期:2014 卷标:4(10) 页码:3630-3636]

= 811-98-3
反应条件:1.1 Catalysts: Sodium Bicarbonate2.1 Catalysts: Lithium Tetrafluoroborate,Lithium Borohydride
标题:Efficient Syntheses And Chemistry Of Indolactam-V And Its Analogs
作者:Masuda,Toshiya; Et Al
参考文献:Agricultural And Biological Chemistry 日期:1989 卷标:53(8) 页码:2257-60]

1664-99-9 = 811-98-3
反应条件:1.1 Reagents: Deuterium Atom; 15 K2.1 Reagents: Deuterium Atom; 15 K
标题:Formation Of Deuterated Formaldehyde On Low Temperature Surfaces: Isotope Effect Of Quantum Tunneling Reactions
作者:Hidaka,H.; Et Al
参考文献:Aip Conference Proceedings 日期:2013 卷标:1543 页码:318-325]

1864-94-4 = 811-98-3
反应条件:1.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: Isopropanol; 12 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C2.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: 2-Propan-1,1,1,2,3,3,3-D7-Ol-D; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C
标题:Transfer Hydrogenation Of Organic Formates And Cyclic Carbonates: An Alternative Route To Methanol From Carbon Dioxide
作者:Kim,Seung Hyo; Et Al
参考文献:Acs Catalysis 日期:2014 卷标:4(10) 页码:3630-3636]

4427-92-3 = 811-98-3
反应条件:1.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: Isopropanol; 6 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C2.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: 2-Propan-1,1,1,2,3,3,3-D7-Ol-D; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C
标题:Transfer Hydrogenation Of Organic Formates And Cyclic Carbonates: An Alternative Route To Methanol From Carbon Dioxide
作者:Kim,Seung Hyo; Et Al
参考文献:Acs Catalysis 日期:2014 卷标:4(10) 页码:3630-3636]

4437-85-8 = 811-98-3
反应条件:1.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: Isopropanol; 12 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C2.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: 2-Propan-1,1,1,2,3,3,3-D7-Ol-D; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C
标题:Transfer Hydrogenation Of Organic Formates And Cyclic Carbonates: An Alternative Route To Methanol From Carbon Dioxide
作者:Kim,Seung Hyo; Et Al
参考文献:Acs Catalysis 日期:2014 卷标:4(10) 页码:3630-3636]

5630-35-3 + 925-93-9 = 811-98-3 [标题:Reaction Conditions
标题:Intramolecular Reductive Elimination Of Methane From A Dinuclear Palladium Complex Containing Methyl And Hydride On Adjacent Palladium Centers
作者:Kellenberger,B.; Et Al
参考文献:Journal Of The American Chemical Society 日期:1985 卷标:107(21) 页码:6105-7]

= 811-98-3
反应条件:1.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: Isopropanol; 5 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C2.1 Catalysts: Potassium Carbonate,(Oc-6-52)-Carbonylchloro[2-(Diphenylphosphino-Kp)-N-[2-(Diphenylphosphino-Kp)Eth... Solvents: 2-Propan-1,1,1,2,3,3,3-D7-Ol-D; 3 H,Rt -> 140 °C; 1.5 H,140 °C -> 0 °C
标题:Transfer Hydrogenation Of Organic Formates And Cyclic Carbonates: An Alternative Route To Methanol From Carbon Dioxide
作者:Kim,Seung Hyo; Et Al
参考文献:Acs Catalysis 日期:2014 卷标:4(10) 页码:3630-3636

甲醇置于氘代异丙醇,Carbonylhydrido(Tetrahydroborato)[bis(2-Diphenylphosphinoethyl)-Amino]Ruthenium(II),Potassium Carbonate体系中,化学反应 3.0H,以94%的收率获得产物氘代甲醇
参考文献:有机形态和环状碳酸酯的转移加氢:由二氧化碳制甲醇的替代途径
标题:有机形态和环状碳酸酯的转移加氢:由二氧化碳制甲醇的替代途径
摘要:使用容易获得的钌催化剂首次实现了有机甲酸酯和环状碳酸酯的转移加氢.使用无毒且经济的2-丙醇作作为反应溶剂和氢源,而无需在高压下使用易燃的h 2气体.该方法提供了在温和条件下从二氧化碳生产甲醇的间接策略,以及在操作上简单且对环境无害的方式来减少甲酸盐和碳酸盐.
DOI:10.1021/cs501133M

海关参考信息

2905110000-甲醇
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专利信息

专利号:US-11548898-B2
优先权日:2017-07-06
标题 :Synthesis of halichondrins
发明人：KISHI YOSHITO; AI YANRAN; YE NING; WANG QIAOYI; YAHATA KENZO; ISO Kentaro; NAINI SANTHOSH REDDY; YAMASHITA SHUJI; LEE JIHOON; OHASHI ISAO; FUKUYAMA TAKASHI
权利人:HARVARD COLLEGE; EISAI R&D MAN CO LTD
摘要:The present invention provides methods for the synthesis of ketones involving a Ni/Zr-mediated coupling reaction. The Ni/Zr-mediated ketolization reactions can be used in the synthesis of halichondrins (e.g., halichondrin A, B, C; homohalichondrin A, B, C; norhalichondrin A, B, C), and analogs thereof. Therefore, the present invention also provides synthetic methods useful for the synthesis of halichondrins, and analogs thereof. Also provided herein are compounds (i.e., intermediates) useful in the synthesis of halichondrins, and analogs thereof. In particular, the present invention provides methods and compounds useful in the synthesis of compound of Formula (H3-A).

专利号:WO-2025053792-A1
优先权日:2023-09-06
标题:Collective synthesis of phantomolin family through total synthesis of the sesquiterpene lactone molephantin
发明人：CHIBA SHUNSUKE; PATOURET REMI HENRI LOUIS; LI HOI YEUNG; LAI SOAK KUAN
权利人:UNIV NANYANG TECH
摘要:Disclosed herein are processes to generate an intermediate in the total synthesis of (+)- molephantin or a derivative thereof, and a total synthesis of (+)-molephantin or a derivative thereof. Also disclosed herein are methods of forming a compound of formula XIV and of forming a compound of formula XV, wherein compound of formula XIV and compound of formula XV are as defined in the description.

专利号:WO-2024182268-A1
优先权日:2023-02-27
标题 :Liquid phase peptide support synthesis of peptides and peptidomimetics
发明人：HAN AMY
权利人:REGENERON PHARMA
摘要:The present invention provides compounds useful as support for liquid phase organic synthesis e.g., liquid phase organic synthesis of peptides and peptidomimetics. In one aspect, the present invention provides a compound having a structure of Formula (I) where R1, R2, R3, m, and n are as described herein and methods of making and using same.

专利号:EP-0309324-B1
优先权日:1987-09-17
标题:Process for the preparation of n-alkylated amino acids and their esters, use in the synthesis of carboxyalkyl dipeptides
摘要:Process for industrial synthesis of the derivative of formula (I): and their addition salts with an inorganic or organic acid or base, in which: R1 is linear or branched lower alkyl (of 1 to 6 carbon atoms), R2 is hydrogen or a linear or branched lower alkyl group (of 1 to 4 carbon atoms). Application to the industrial synthesis of carboxyalkyl dipeptides.

专利号:US-2024207831-A1
优先权日:2022-12-08
标题 :Molecular Sieve CIT-16P, Its Synthesis, Transformation and Use
发明人：KANG JONG HUN; ALSHAFEI FAISAL H; DAVIS MARK E
权利人:CALIFORNIA INST OF TECHN
摘要:The disclosure provides a novel silicoaluminophosphate molecular sieve, referred to as CIT-16P, that comprises a silicoaluminophosphate framework with an occluded OSDA that is DiQ-C 4 or DiQ-C 3 . The synthesis of CIT-16P, its conversion to SAPO-17, and the use of the so-derived SAPO-17 in the MTO reaction are also disclosed.

专利号:WO-2025136243-A1
优先权日:2023-12-20
标题:Mechanochemical synthesis of histamine h1-receptor antagonists
发明人：AYDONAT SIMAY; OZEL MERTCAN; YIGITBASI JOANNA MARIANNA; BAYTEKIN BILGE; COLACINO EVELINA
权利人:IHSAN DOGRAMACI BILKENT UNIV; CENTRE NAT RECH SCIENT
摘要:The present invention relates to mechanochemical synthesis of histamine antagonists which are benzhydryl ethers and unsymmetrically disubstitutes piperazines and salts thereof. Said antihistamine active pharmaceutical ingredients can be diphenhydramine hydrochloride, cyclizine hydrochloride and diphenylpyraline hydrochloride. These antihistamines are used in the treatment of allergies, hives, hay fever (allergic rhinitis), conjunctivitis, reactions to insect bites and sings, nausea, motion sickness, insomnia.

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合成参考文献

参考文献:10.1007/978-1-61779-188-8_3
摘要:Hari Y, Kodama T, Imanishi T, Obika S. 2'-O,4'-C-methyleneoxymethylene bridged nucleic acids (2',4'-BNA(COC)). Methods Mol Biol. 2011;764():31–57. doi: 10.1007/978-1-61779-188-8_3.
参考文献:10.1186/1472-6882-11-57
摘要:Teke GN, Lunga PK, Wabo HK, Kuiate J, Vilarem G, Giacinti G, Kikuchi H, Oshima Y. Antimicrobial and antioxidant properties of methanol extract, fractions and compounds from the stem bark of Entada abyssinica Stend ex A. Satabie. BMC Complementary Medicine and Therapies. 2011 Jul 19;11(1):57. doi: 10.1186/1472-6882-11-57.
参考文献:10.1007/s00253-011-3467-0
摘要:Bleif S, Hannemann F, Zapp J, Hartmann D, Jauch J, Bernhardt R. A new Bacillus megaterium whole-cell catalyst for the hydroxylation of the pentacyclic triterpene 11-keto-β-boswellic acid (KBA) based on a recombinant cytochrome P450 system. Applied Microbiology and Biotechnology. 2011 Jul 22;93(3):1135–46. doi: 10.1007/s00253-011-3467-0.