N-甲氧基-N-甲基丁酰胺 | 109480-78-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: N-甲氧基-N-甲基丁酰胺
• 英文名称: N-methoxy-N-methylbutanamide
• 英文别名: N-methoxy-N-methylbutyramide；N-methoxy-N-methyl-n-butylamide
• CAS: 109480-78-6
• 化学式: C₆H₁₃NO₂
• mdl: MFCD14707556
• 分子量: 131.175
• InChiKey: KHNDGDMDYRDYBR-UHFFFAOYSA-N

物化性质

• 沸点：
  144.1±23.0 °C(Predicted)
• 密度：
  0.948±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2924199090
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Methoxy-N-methylbutanamide
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: N-Methoxy-N-methylbutanamide
CAS number: 109480-78-6

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C6H13NO2
Molecular weight: 131.2

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-甲氧基-N-甲基丁酰胺 在 乙醇 、 ruthenium(III) trichloride hydrate 、 zinc/copper couple 作用下， 反应 24.0h， 以93%的产率得到N-甲基丁酰胺
  参考文献：
  名称：

  Ruthenium-catalyzed reduction of N-alkoxy- and N-hydroxyamides

  摘要：

  A ruthenium-catalyzed reduction of N-alkoxy- and N-hydroxyamides was found to afford corresponding amides in good to high yields. A simple RuCl3/Zn-Cu/alcohol system, without the addition of any other ligands, exhibited a high catalytic activity, and therefore the present reaction does not require a stoichiometric amount of metals or metal complexes as reductants. When beta-substituted-alpha,beta-unsaturated N-methoxyamides were employed as substrates, concurrent hydrogenation of the olefin moiety proceeded slowly with deprotection of the methoxy group. In the reduction of N-hydroxyamides, the alcoholic solvent was found to function as a hydrogen donor. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.08.026
• 作为产物：
  描述：

  二甲羟胺盐酸盐 、 丁酸 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-甲氧基-N-甲基丁酰胺
  参考文献：
  名称：

  使用 1,3,5-Triaryl-1,3,5-triazinanes 由手性金属铑配合物催化的对映选择性曼尼希反应

  摘要：

  开发了手性金属 Rh(III) 配合物催化 2-酰基咪唑与 1,3,5-三嗪烷的高效对映选择性曼尼希反应，以 81-99% 的产率提供相应的加合物，对映选择性高达 >99%。该协议以克级规模使用 0.1 mol % 的 Rh(III) 络合物执行，而对映选择性没有损失。

  DOI：

  10.1002/ejoc.201700463
• 作为试剂：
  描述：

  仲丁基锂 、 tert-butyl (3-methoxy-2-methylphenyl)carbamate 、 四氢呋喃 在 Dricold ethanol 、 N-甲氧基-N-甲基丁酰胺 、 四氢呋喃 、 乙醚 、 盐酸 、 Brine 、 magnesium sulfate 作用下， 以 环己烷 为溶剂， 反应 23.0h， 以to give 9.9 g of crude 1-[2-(tert-butoxycarbonylamino)-6-methoxyphenyl]-2-pentanone的产率得到1-[2-(tert-butoxycarbonylamino)-6-methoxyphenyl]-2-pentanone
  参考文献：
  名称：

  1H-indole-3-glyoxylamide sPLA2 inhibitors

  摘要：

  本文披露了一类新型1H-吲哚-3-甘氨酰胺类化合物，以及利用这些吲哚化合物抑制sPLA2介导的脂肪酸释放，用于治疗诸如感染性休克等疾病的方法。

  公开号：

  US06175021B1

文献信息

• [EN] CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE LA CÉRAMIDE GALACTOSYLTRANSFÉRASE POUR LE TRAITEMENT DE MALADIES
  申请人：BIOMARIN PHARM INC

  公开号：WO2017214505A1

  公开（公告）日：2017-12-14

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with the enzyme ceramide galactosyltransferase (CGT), such as, for example, lysosomal storage diseases. Examples of lysosomal storage diseases include, for example, Krabbe disease and Metachromatic Leukodystrophy.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物、以及使用这种化合物治疗或预防与酶神经鞘糖脂转移酶（CGT）相关的疾病或紊乱的方法，例如溶酶体贮积症。溶酶体贮积症的例子包括 Krabbe 病和白质变性白血病。
• [EN] 5H-ISOTHIAZOLO[4,5-C]PYRIDINE-3,4-DIONE OR 5H-PYRAZOLO[4,3-C]PYRIDIN-3,4-DIONE AS ANTIBACTERIAL COMPOUNDS<br/>[FR] 5H-ISOTHIAZOLO[4,5-C]PYRIDINE-3,4-DIONE OU 5H-PYRAZOLO[4,3-C]PYRIDINE-3,4-DIONE EN TANT QUE COMPOSÉS ANTIBACTÉRIENS
  申请人：REDX PHARMA PLC

  公开号：WO2015114317A1

  公开（公告）日：2015-08-06

  This invention relates to antibacterial drug compounds of formula (I) containing a fused isothiazolinone or pyrazolone ring and related compounds. It also relates to pharmaceutical formulations of antibacterial drug compounds. It also relates to uses of the derivatives in treating bacterial infections and in methods of treating bacterial infections. Many of the antibacterial drug compounds contain a isothiazolinone or pyrazolone ring fused to a pyridone ring. The compounds have broad spectrum antibacterial activity but are particularly effective against Gram negative strains. wherein X is selected from S, SO, SO2, O and NR4;

  这项发明涉及公式（I）中含有融合异噻唑酮或吡唑酮环及相关化合物的抗菌药物化合物。它还涉及抗菌药物化合物的制药配方。它还涉及衍生物在治疗细菌感染和治疗细菌感染方法中的用途。许多抗菌药物化合物含有融合到吡啶酮环的异噻唑酮或吡唑酮环。这些化合物具有广谱抗菌活性，但对革兰氏阴性菌株特别有效。其中X从S、SO、SO2、O和NR4中选择。
• Discovery and Characterization of Pure RhlR Antagonists against <i>Pseudomonas aeruginosa</i> Infections
  作者：SangJin Nam、So-Young Ham、Hongmok Kwon、Han-Shin Kim、Suhyun Moon、Jeong-Hoon Lee、Taehyeong Lim、Sang-Hyun Son、Hee-Deung Park、Youngjoo Byun

  DOI：10.1021/acs.jmedchem.0c00630

  日期：2020.8.13

  Pseudomonas aeruginosa (P. aeruginosa) is an opportunistic human pathogen that forms biofilms and produces virulence factors via quorum sensing (QS). Blocking the QS system in P. aeruginosa is an excellent strategy to reduce biofilm formation and the production of virulence factors. RhlR plays an essential role in the QS system of P. aeruginosa. We synthesized 55 analogues based on the chemical structure

  铜绿假单胞菌（P.aeruginosa）是一种机会性人类病原体，可形成生物膜并通过群体感应（QS）产生毒力因子。阻断铜绿假单胞菌的QS系统是减少生物膜形成和产生毒力因子的极好策略。RhlR在铜绿假单胞菌的QS系统中发挥重要作用。我们基于4-gingerol的化学结构合成了55个类似物，并使用基于细胞的报告基因菌株测定法评估了它们的RhlR抑制活性。全面的结构-活性关系研究确定了炔基酮30作为最有效的RhlR拮抗剂。该化合物对LasR和PqsR表现出选择性的RhlR拮抗作用，对生物膜的形成有很强的抑制作用，并减少了铜绿假单胞菌中毒力因子的产生。此外，用30只体内处理的黄粉虫幼虫的存活率大大提高。因此，化合物30，一种纯的RhlR拮抗剂，可以用于开发铜绿假单胞菌感染的QS调节分子。
• 1H-indole-3-acetamide sPLA.sub.2 inhibitors
  申请人：Eli Lilly and Company

  公开号：US05684034A1

  公开（公告）日：1997-11-04

  A class of novel 1-indole-3-acetamides represented by the formula; ##STR1## is disclosed together with the use of such indole compounds for inhibiting sPLA.sub.2 mediated release of fatty acids.

  一类由以下式表示的新型1-吲哚-3-乙酰胺类化合物被揭示，同时还公开了利用这类吲哚化合物抑制sPLA.sub.2介导的脂肪酸释放的用途。
• Catalytic α-Deracemization of Ketones Enabled by Photoredox Deprotonation and Enantioselective Protonation
  作者：Chenhao Zhang、Anthony Z. Gao、Xin Nie、Chen-Xi Ye、Sergei I. Ivlev、Shuming Chen、Eric Meggers

  DOI：10.1021/jacs.1c06637

  日期：2021.8.25

  deprotonation, followed by enantioselective protonation. The principle of microscopic reversibility, which has previously rendered this strategy elusive, is overcome by a photoredox deprotonation through single electron transfer and subsequent hydrogen atom transfer (HAT). Specifically, the irradiation of racemic pyridylketones in the presence of a single photocatalyst and a tertiary amine provides nonracemic

  该研究报告了在单个反应中通过去质子化，然后对映选择性质子化，在 α 位带有立体中心的酮的催化去外消旋化。先前使该策略难以捉摸的微观可逆性原理被通过单电子转移和随后的氢原子转移 (HAT) 进行的光氧化还原去质子化所克服。具体而言，在单一光催化剂和叔胺存在下外消旋吡啶基酮的辐照可提供对映体过量高达 97% 的非外消旋羰基化合物。光催化剂收集可见光，诱导氧化还原过程，并负责不对称诱导，而胺作为单电子供体、HAT 试剂和质子源。