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N-甲基乙酰胺 | 79-16-3

N-甲基乙酰胺
N-Methylacetamide
79-16-3
C3H7NO
73.0937807559967
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:N-甲基乙酰胺结构式
24884026
N-甲基乙酰胺价格
名称和标识符
MDL MFCD00008683
InChIKey OHLUUHNLEMFGTQ-UHFFFAOYSA-N
Inchi 1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
SMILES O=C(C)NC
BRN 1071255
别名信息
- 中文别名 -
  • N-甲基乙酰胺
  • 乙酰甲基胺
  • 甲基乙酰胺
  • N-甲基醋酰胺
  • N-甲基乙醯胺
  • N-Methylacetamide N-甲基乙酰胺
  • N-甲基乙酰胺 (GC检测)
  • N-甲基乙酰胺 标准品
  • N-甲基乙酰胺,N-Methylacetamide
  • N-甲基乙酰胺,乙酰甲基胺
  • N-乙酰基-N-甲胺
- 英文别名 -
  • ACETIC ACID METHYLAMIDE
  • ACETMETHYLAMIDE
  • ACETYL METHYLAMIDE
  • ACETYLMETHYLAMINE
  • dimethylcarboxamide
  • N-ACETYLMETHYLAMINE
  • N-ACETYL-N-METHYLAMINE
  • NMA
  • N-METHYLACETAMIDE
  • Acetamide,N-methyl-
  • aceticacid,amide,n-methyl
  • Acetylmethylammine
  • CH3CONHCH3
  • methyl-acetamid
  • Methylacetamide
  • Monomethylacetamide
  • n-methyl-acetamid
  • N-Methylethanamide
  • n-monomethylacetamide
  • N-MethylAcetylamide
  • Acetamide,methyl
  • Acetamide,N-methyl
  • N-acetyl-methylamine
  • :N-Methylacetamide
  • Acetamide, N-methyl-
  • Methyl acetamide
  • N-Methyl-acetamide
  • N-Methyl acetamide
  • Acetamide, methyl-
  • X 44
  • Acetic acid, amide, N-methyl
  • n-methylacetylamine
  • OHLUUHNLEMFGTQ-UHFFFAOYSA-N
  • V0T777481M
  • NML
  • PubChem10938
  • N-Acetyl-N-methylamine
  • Acetylmethylamine
  • Dimethylcarboxamide
  • N-Methylacetamide (ACI)
  • ACE-NME
  • NSC 747
  • N-Methylacetamide,99%
物化性质
实验特性
LogP 0.14320
PSA 29.10000
折射率 n20/D 1.433(lit.)
水溶性 溶解
沸点 206°C(lit.)
熔点 26-28 °C (lit.)
闪点 116 ºC
颜色与性状 白色针状结晶
PH值 7 (H2O)
稳定性 Stable. Combustible. Incompatible with strong oxidizing agents.
溶解性 易溶于水、醇、醚、丙酮、苯、氯仿,不溶于溶剂汽油。
敏感性 对光敏感
密度 0.957 g/mL at 25 °C(lit.)
计算特性
精确分子量 73.05280
氢键供体数量 1
氢键受体数量 1
可旋转化学键数量 0
同位素质量 73.052764
重原子数量 5
复杂度 42.2
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) -1.1
互变异构体数量 2
表面电荷 0
拓扑分子极性表面积 29.1
国际标准相关数据
EINECS 94
海关数据
海关编码 2942000000
海关数据

中国海关编码:

2942000000
合成路线

合成路线:1 步

反应条件:
参考文献:
Direct Preparation of Amides from Amine Hydrochloride Salts and Orthoesters: A Synthetic and Mechanistic Perspective
Di Grandi, Martin J.; Bennett, Caitlin; Cagino, Kristen; Muccini, Arnold; Suraci, Corey; et al, Synthetic Communications, 2015, 45(22), 2601-2607

合成路线:1 步

反应条件:
参考文献:
Facile PTSH-catalyzed Beckmann rearrangement of ketoximes in solid state
Ponnusamy, S.; Pitchumani, K., Indian Journal of Chemistry, 1999, (7), 861-864

合成路线:2 步

反应条件:
参考文献:
An unexpected new pathway for nitroxide radical production via more reactive nitrogen-centered amidyl radical intermediate during detoxification of the carcinogenic halogenated quinones by N-alkyl hydroxamic acids
Zhu, Ben-Zhan; et al, Free Radical Biology & Medicine, 2020, 146, 150-159

合成路线:1 步

反应条件:
参考文献:
An unexpected new pathway for nitroxide radical production via more reactive nitrogen-centered amidyl radical intermediate during detoxification of the carcinogenic halogenated quinones by N-alkyl hydroxamic acids
Zhu, Ben-Zhan; et al, Free Radical Biology & Medicine, 2020, 146, 150-159

合成路线:1 步

反应条件:
参考文献:
Hydrolytic deallylation of N-allyl amides catalyzed by PdII complexes
Ohmura, Naoya; Nakamura, Asami; Hamasaki, Akiyuki; Tokunaga, Makoto, European Journal of Organic Chemistry, 2008, (30), 5042-5045

合成路线:1 步

反应条件:
参考文献:
Isopropenyl acetate, a remarkable, cheap and acylating agent of amines under solvent- and catalyst-free conditions: a systematic investigation
Pelagalli, Romina; Chiarotto, Isabella; Feroci, Marta; Vecchio, Stefano, Green Chemistry, 2012, 14(8), 2251-2255

合成路线:1 步

反应条件:
参考文献:
Homogeneous liquid-phase Beckmann rearrangement of oximes catalyzed by phosphorous pentoxide and accelerated by a fluorine-containing strong acid
Sato, H.; Yoshioka, H.; Izumi, Y., Journal of Molecular Catalysis A: Chemical, 1999, 149(1-2), 25-32

合成路线:1 步

反应条件:
参考文献:
Efficient tandem process for the catalytic deprotection of N-allyl amides and lactams in aqueous media: a novel application of the bis(allyl)-ruthenium(IV) catalysts [Ru(η3:η2:η3-C12H18)Cl2] and [{Ru(η3:η3-C10H16)(μ-Cl)Cl}2]
Cadierno, Victorio; Gimeno, Jose; Nebra, Noel, Chemistry - A European Journal, 2007, 13(23), 6590-6594

合成路线:1 步

反应条件:
参考文献:
Nano rod-shaped and reusable basic Al2O3 catalyst for N-formylation of amines under solvent-free conditions: A novel, practical and convenient NOSE' approach
Das, Vijay Kumar; Devi, Rashmi Rekha; Raul, Prasanta Kumar; Thakur, Ashim Jyoti, Green Chemistry, 2012, 14(3), 847-854

合成路线:1 步

反应条件:
参考文献:
Reusable Deep Eutectic Solvents for Clean ε-Caprolactam Synthesis under Mild Conditions
Sun, Shiqin ; Liu, Shiwei ; Yu, Fengli; Zhang, Jian; Xing, Weiguo; et al, ACS Sustainable Chemistry & Engineering, 2022, 10(4), 1675-1688

合成路线:1 步

反应条件:
参考文献:
Regioselective Intramolecular Allene Amidation Enabled by an EDA Complex
Liu, Lu; Ward, Robert M. ; Schomaker, Jennifer M., Chemistry - A European Journal, 2020, 26(61), 13783-13787

合成路线:1 步

反应条件:
参考文献:
Visible-Light-Mediated Synthesis of Amidyl Radicals: Transition-Metal-Free Hydroamination and N-Arylation Reactions
Davies, Jacob; Svejstrup, Thomas D.; Fernandez Reina, Daniel; Sheikh, Nadeem S.; Leonori, Daniele, Journal of the American Chemical Society, 2016, 138(26), 8092-8095

合成路线:1 步

反应条件:
参考文献:
Synthesis of diverse libraries of carboxamides via chemoselective N-acylation of amines by carboxylic acids employing Bronsted acidic IL [BMIM(SO3H)][OTf]
Savanur, Hemantkumar M.; Malunavar, Shruti S.; Prabhala, Pavankumar; Sutar, Suraj M.; Kalkhambkar, Rajesh G.; et al, Tetrahedron Letters, 2019, 60(42),

合成路线:1 步

反应条件:
参考文献:
Recyclable, highly efficient and low cost nano-MgO for amide synthesis under SFRC: A convenient and greener NOSE' approach
Das, Vijay Kumar; Devi, Rashmi Rekha; Thakur, Ashim Jyoti, Applied Catalysis, 2013, 456, 118-125

合成路线:1 步

反应条件:
参考文献:
A novel method for Beckmann rearrangement of oximes with silica sulfuric acid under mild condition
Xiao, Lin Fei; Peng, Jia Jian; Xia, Chun Gu, Chinese Chemical Letters, 2006, 17(5), 617-620

合成路线:1 步

反应条件:
参考文献:
Indium trifluoromethanesulfonate (In(OTf)3)-a new catalyst for Beckmann rearrangement of ketoximes and facile dehydration of aldoximes
Barman, Dhiren C.; Gohain, Mukut; Prajapati, Dipak; Sandhu, Jagir S., Indian Journal of Chemistry, 2002, (1), 154-156

合成路线:1 步

反应条件:
参考文献:
Microwave induced bismuth trichloride catalysed beckmann rearrangement of oximes
Thakur, Ashim J.; Boruah, Anima; Prajapati, Dipak; Sandhu, Jagir S., Synthetic Communications, 2000, 30(12), 2105-2111

合成路线:1 步

反应条件:
参考文献:
Process for producing amides by liquid-phase rearrangement of oximes catalyzed by phosphorus pentoxide and dialkyl amides or sulfoxides
, European Patent Organization, , ,

合成路线:1 步

反应条件:
参考文献:
High-yield and high-efficiency conversion of cyclohexanone oxime to ε-caprolactam in a green and facile reaction process over deep eutectic solvents
Sun, Shiqin; Liu, Shiwei; Yu, Fengli; Zhang, Jian; Xing, Weiguo; et al, Chemical Engineering Science, 2022, 253,
相关文献
专业数据库参考
PubChemId 24884026
参考资料
Reaxys RN 1071255
Beilstein 4,58
化合物详情(旧版)

N-甲基乙酰胺物理化学性质

外观性状:白色针状结晶。熔点30.55℃(28℃),沸点206℃,140.5℃(12kPa),相对密度0.9571(25/4℃),折光率1.4301,闪点108℃。溶于水、乙醇、苯、醚、氯仿,不溶于石油醚。
熔点:26-28 °C(lit.)
沸点:204-206 °C(lit.)
密度:0.957 g/mL at 25 °C(lit.)
折射率:n20/D 1.433(lit.)
闪点:227 °F
水溶解性:soluble
BRN:1071255

N-甲基乙酰胺应用领域

【用途一】用作溶剂,也用于制药
【用途二】该品为农药、医药等有机合成的中间体。
【用途三】因它具有溶解其它有机物的优良机物性能的优良性能,所以在有机合成上常用作溶剂使用在制药工业,使用广泛,如合成孢菌素,就使用它和为溶剂。N-甲基乙酰胺对于某些化学反应有催化作用,在非极性溶剂中又是一个脱酸剂。所以目前使用广泛。


N-甲基乙酰胺制备方法

由乙酸乙酯与甲胺反应而得。将乙酸乙酯和65%的甲胺混合,加热至60℃左右,反应4昼夜,至不再有分层现象,即反应完毕。减压蒸馏回收乙醇,收集95-110℃(4.0kPa)馏分而得N-甲基乙酰胺。


N-甲基乙酰胺安全特性,毒性,储运

【储运特性】库房通风低温干燥
【毒性分级】中毒
【急性毒性】口服- 大鼠 LD50: 5000 毫克/ 公斤
【可燃性危险特性】易燃; 燃烧产生有毒氮氧化物气体
【类别】易燃液体
【灭火剂】干粉、泡沫、砂土、水

产品用途
用作溶剂,也用于制药
N-甲基乙酰胺推荐生产厂家
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