80783-98-8 (N-甲氧基-N-甲基-环己基酰胺,N-methoxy-N-methylcyclohexanecarboxamide)

CAS号:
80783-98-8
中文名称:
N-甲氧基-N-甲基-环己基酰胺
英文名称:
N-methoxy-N-methylcyclohexanecarboxamide
分子式:
C9H17NO2
分子量:
171.23678278923

N-甲氧基-N-甲基-环己基酰胺(80783-98-8)名称与标识符

名称

中文别名:
N-甲氧基-N-甲基环丙酰胺;N-甲氧基-N-甲基-环己基酰胺;N-甲氧基-N-甲基环己烷甲酰胺;
英文别名:
Cyclohexanecarboxamide, N-methoxy-N-methyl-;N-methoxy-N-methylcyclohexanecarboxamide;Cyclohexanecarboxamide,N-methoxy-N-methyl;cyclohexanecarboxylic acid methoxy(methyl)amide;cyclohexyl-N-methyl-N-methoxycarboxamide;N-methoxy-N-methyl cyclohexyl amide;N-Methyl-N-methoxy-cyclohexanecarboxamide;N-methyl-N-methoxycyclohexylcarbonamide;N-Methoxy-N-methylcyclohexanecarboxamide (ACI);Cyclohexanecarboxylic acid N-methoxy-N-methylamide;MFCD12406909;AKOS008953272;N-methyl-N-methoxycyclohexanecarboxamide;CS-0048810;SCHEMBL65733;DTXSID20472088;AS-53279;N-methyl-N-methoxy cyclohexanecarboxamide;P16278;CON(C)C(=O)C1CCCCC1;cyclohexanecarboxylic acid methoxy-methyl-amide;MVBZPHKLBBUMNK-UHFFFAOYSA-N;SY158700;DA-41319;EN300-172372;80783-98-8;F1903-0099;

标识符

MDL:
MFCD12406909
InChIKey:
MVBZPHKLBBUMNK-UHFFFAOYSA-N
Inchi:
1S/C9H17NO2/c1-10(12-2)9(11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
SMILES:
O=C(C1CCCCC1)N(C)OC

N-甲氧基-N-甲基-环己基酰胺(80783-98-8)物化性质

实验特性

  • LogP : 1.58650
  • PSA : 29.54000

计算特性

  • 精确分子量 : 171.12600
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 3
  • 同位素质量 : 171.125928785g/mol
  • 重原子数量 : 12
  • 复杂度 : 153
  • 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) : 1.9
  • 拓扑分子极性表面积 : 29.5Ų

N-甲氧基-N-甲基-环己基酰胺(80783-98-8)海关数据

海关编码:
2924299090
海关数据:

中国海关编码:

2924299090

概述:

2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 包装

Summary:

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

N-甲氧基-N-甲基-环己基酰胺(80783-98-8)合成路线

合成路线:1 步
反应条件:
参考文献:
Enolizable β-Fluoroenones: Synthesis and Asymmetric 1,2-Reduction
Zygalski, Lukas; et al, Organic Letters, 2018, 20(16), 5071-5074
合成路线:1 步
反应条件:
参考文献:
One-pot transition-metal-free synthesis of Weinreb amides directly from carboxylic acids
Niu, Teng; et al, Synthesis, 2014, 46(3), 320-330
合成路线:1 步
反应条件:
参考文献:
Asymmetric alkene-alkene reductive cross-coupling reaction via visible-light photoredox/cobalt dual catalysis
Maiti, Mamata; et al, Chemical Communications (Cambridge, 2023, 59(64), 9718-9721
合成路线:1 步
反应条件:
参考文献:
Copper(I)-Catalyzed Enantioselective Nucleophilic Borylation of Aliphatic Ketones: Synthesis of Enantioenriched Chiral Tertiary α-Hydroxyboronates
Kubota, Koji ; et al, Angewandte Chemie, 2017, 56(23), 6646-6650
合成路线:1 步
反应条件:
参考文献:
Three-Step Synthetic Pathway toward Fully Decorated [1,2,3]Triazolo[4,5-d]pyrimidine (8-Azapurine) Derivatives
Reniers, Felien ; et al, Organic Letters, 2023, 25(16), 2820-2824
合成路线:1 步
反应条件:
参考文献:
Reactions between Weinreb Amides and 2-Magnesiated Oxazoles: A Simple and Efficient Preparation of 2-Acyl Oxazoles
Pippel, Daniel J.; et al, Journal of Organic Chemistry, 2007, 72(15), 5828-5831
合成路线:1 步
反应条件:
参考文献:
Catalytic enantioselective construction of β-quaternary carbons via a conjugate addition of cyanide to β,β-disubstituted α,β-unsaturated carbonyl compounds
Tanaka, Yuta; et al, Journal of the American Chemical Society, 2010, 132(26), 8862-8863
合成路线:1 步
反应条件:
参考文献:
An efficient synthesis of N-methoxy-N-methylamides from carboxylic acids using N-methoxy-N-methylcarbamoyl chloride
Lee, Jae In; et al, Bulletin of the Korean Chemical Society, 2002, 23(3), 521-524
合成路线:1 步
反应条件:
参考文献:
An efficient one-pot synthesis of N-methoxy-N-methylamides from carboxylic acids
Kim, Misoo; et al, Synthetic Communications, 2003, 33(23), 4013-4018
合成路线:1 步
反应条件:
参考文献:
A mild, one-pot method for the conversion of carboxylic acids into the corresponding Weinreb amides
Banwell, Martin; et al, Synthetic Communications, 2001, 31(13), 2011-2019
合成路线:1 步
反应条件:
参考文献:
A convenient synthesis of N-methoxy-N-methylamides from carboxylic acids using S,S-di-2-pyridyl dithiocarbonate
Lee, Jae In; et al, Bulletin of the Korean Chemical Society, 2001, 22(4), 421-423
合成路线:1 步
反应条件:
参考文献:
A powerful reagent for synthesis of Weinreb amides directly from carboxylic acids
Niu, Teng; et al, Organic Letters, 2009, 11(19), 4474-4477
合成路线:1 步
反应条件:
参考文献:
A new synthesis of cyclohexyl-3-fluorobenzylone
Zhou, Xiao-ping; et al, Fenzi Kexue Xuebao, 2005, 21(2), 60-62
合成路线:1 步
参考文献:
N-Methoxy-N-methylamides as effective acylating agents
Nahm, Steven; et al, Tetrahedron Letters, 1981, 22(39), 3815-18
合成路线:1 步
反应条件:
参考文献:
A new general method for preparation of N-methoxy-N-methylamides. Application in direct conversion of an ester to a ketone
Williams, J. Michael; et al, Tetrahedron Letters, 1995, 36(31), 5461-4
合成路线:1 步
反应条件:
参考文献:
Microwave acceleration in DABAL-Me3-mediated amide formation
Glynn, Daniel; et al, Tetrahedron Letters, 2008, 49(39), 5687-5688
合成路线:1 步
反应条件:
参考文献:
A novel synthesis of N-methoxy-N-methylamides from 4,6-pyrimidyl urethane and Grignard reagents
Lee, Jae In, Bulletin of the Korean Chemical Society, 2007, 28(4), 695-697
合成路线:1 步
反应条件:
参考文献:
A new synthesis of N-methoxy-N-methylamides from S-2-pyridyl thiocarbamate and Grignard reagents
Lee, Jae In; et al, Journal of the Korean Chemical Society, 2005, 49(6), 609-612
合成路线:1 步
反应条件:
参考文献:
Organocatalytic oxidation of aldehydes to mixed anhydrides
Toledo, Hila; et al, Chemical Communications (Cambridge, 2013, 49(39), 4367-4369
合成路线:2 步
反应条件:
参考文献:
A powerful reagent for synthesis of Weinreb amides directly from carboxylic acids
Niu, Teng; et al, Organic Letters, 2009, 11(19), 4474-4477
合成路线:2 步
反应条件:
参考文献:
A novel synthesis of N-methoxy-N-methylamides from 4,6-pyrimidyl urethane and Grignard reagents
Lee, Jae In, Bulletin of the Korean Chemical Society, 2007, 28(4), 695-697
合成路线:2 步
反应条件:
参考文献:
A new synthesis of N-methoxy-N-methylamides from S-2-pyridyl thiocarbamate and Grignard reagents
Lee, Jae In; et al, Journal of the Korean Chemical Society, 2005, 49(6), 609-612