(3,4-Dimethylphenyl)carbamic acid | 166164-36-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3,4-Dimethylphenyl)carbamic acid
• CAS: 166164-36-9
• 化学式: C₉H₁₁NO₂
• 分子量: 165.192
• InChiKey: ABZYBEMPESMOGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3,4-Dimethylphenyl)carbamic acid 、 1-(5-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)-4, 5-dihydro-1H-pyrazol-1-yl)ethanone 以 四氢呋喃 为溶剂， 以83%的产率得到1-(4-(1-acetyl-3-(3,4-dimethoxyphenyl)-4, 5-dihydro-1H-pyrazol-5-yl) phenyl)-3-(3, 4-dimethylphenyl)urea
  参考文献：
  名称：

  Synthesis, anti-inflammatory and antimicrobial evaluation of novel 1-acetyl-3,5-diaryl-4,5-dihydro (1H) pyrazole derivatives bearing urea, thiourea and sulfonamide moieties

  摘要：

  A series of novel 1-acetyl-3-(3,4-dimethoxypheny)-5-(4-(3-(arylureido/arylthioureido/arylsulfonamido) phenyl)-4,5-dihydropyrazole derivatives of biological interest have been prepared by sequential cyclization of 1-(4-nitrophenyl)-3-(3,4-dimethoxyphenyl)-pro-2-ene-1 with hydrazine hydrate, reduction followed by reaction of resulting amine with different arylisocyanates or arylisothiocyanates or arylsulfonyl chlorides. All the synthesized compounds (1- 32) have been screened for their pro-inflammatory cytokines (TNF-alpha and IL-6) and antimicrobial activity (antibacterial and antifungal). Biological evaluation study showed, the compounds 4, 5, 9, 11, 14 and 16 found to have promising anti-inflammatory activity (up to 61-85% TNF-alpha and 76-93% IL-6 inhibitory activity) at concentration of 10 mu M with reference to standard dexamethasone (76% TNF-alpha and 86% IL-6 inhibitory activity at 1 mu M). Compounds 24, 26, 27, 28 and 29 exhibited promising antimicrobial activity at MIC values ranging from 70 to 10 mu g/mL against all the selected pathogenic bacteria and fungi. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.118

文献信息

• [EN] HYDROXAMIC ACID DERIVATIVES AND THE METHOD FOR PREPARING THEREOF<br/>[FR] DERIVES D'ACIDE HYDROXAMIQUE ET LEUR METHODE DE PREPARATION
  申请人：AMOREPACIFIC CORP

  公开号：WO2005019162A1

  公开（公告）日：2005-03-03

  The present invention provides hydroxamic acid derivatives represented by the following formula (I), having anti-aging efficacy and a method for preparation thereof: wherein, R1 is or, herein, R5 and R6 each independently represents a hydrogen atom, a C1-C10 alkyl group or a C3-C6 cyclic alkyl group; R2 is CONH, NHCO, CONR7 or NR7CO, herein, R7 represents a C1-C10 alkyl group; R3 is (CH)n-, herein, n=0 or 1; and R4 is a hydrogen atom or a C1-C10 alkyl group. Further, the present invention provides skin-care external compositions for preventing skin aging, containing said hydroxamic acid derivatives represented by the formula (I) as an active ingredient.

  本发明提供了以下式(I)所代表的羟羧胺衍生物，具有抗衰老功效以及其制备方法：其中，R1为或，此处，R5和R6分别独立表示氢原子、C1-C10烷基或C3-C6环烷基；R2为CONH、NHCO、CONR7或NR7CO，此处，R7表示C1-C10烷基；R3为(CH)n-，此处，n=0或1；R4为氢原子或C1-C10烷基。此外，本发明提供了用作预防皮肤衰老的护肤外用组合物，含有所述式(I)代表的羟羧胺衍生物作为活性成分。
• [EN] A PROCESS FOR THE SYNTHESIS OF AROMATIC CARBAMATES<br/>[FR] PROCÉDÉ DE SYNTHÈSE DE CARBAMATES AROMATIQUES
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2018216036A1

  公开（公告）日：2018-11-29

  The present invention discloses a process for the synthesis of aromatic carbamates from amine with dialkyl carbonate in the presence of binary or ternary mixed metal oxide catalyst. The present invention further discloses the yield of said aromatic carbamate in the range of 60 to 99%. Further, the ratio of amine to dialkyl carbonate is in the range of 1:2 to 1:30.

  本发明公开了一种在二元或三元混合金属氧化物催化剂存在下，利用二烷基碳酸酯与胺合成芳香族碳酸酯的方法。本发明还公开了所述芳香族碳酸酯的产率在60%至99%的范围内。此外，胺与二烷基碳酸酯的比例在1:2至1:30的范围内。
• Superacid-Catalyzed Trifluoromethylthiolation of Aromatic Amines
  作者：Longin Justin Clair Bonazaba Milandou、Hélène Carreyre、Sébastien Alazet、Gino Greco、Agnès Martin-Mingot、Célestine Nkounkou Loumpangou、Jean-Maurille Ouamba、Fodil Bouazza、Thierry Billard、Sébastien Thibaudeau

  DOI：10.1002/anie.201609574

  日期：2017.1.2

  Upon activation under superacid conditions, functionalized tailor‐made N‐SCF3 sulfenamides served as reagents for the trifluoromethylthiolation of aromatic amines. This method has a broad substrate scope and can be used for the late‐stage functionalization of complex molecules such as alkaloids or steroids. Mechanistic studies based on in situ low‐temperature NMR spectroscopy revealed the involvement

  在超酸条件下活化后，功能化的量身定制的N-SCF 3亚磺酰胺可用作芳香胺的三氟甲基硫醇化反应的试剂。该方法具有广泛的底物范围，可用于复杂分子（如生物碱或类固醇）的后期功能化。基于原位低温NMR光谱的机理研究表明，涉及超导电性中间体。
• C-Kit Modulators And Methods Of Use
  申请人：Cheng Wei

  公开号：US20080096892A1

  公开（公告）日：2008-04-24

  The present invention provides compounds for modulating protein kinase enzymatic activity for modulating cellu-lar activities such as proliferation, differentiation, programmed cell death, migration and chemoinvasion. Even more specifically, the invention provides compounds for modulating c-Kit kinase activity and methods of treating diseases mediated by c-Kit activity utilizing the compounds and pharmaceutical compositions thereof.

  本发明提供了用于调节蛋白激酶酶活性以调节细胞活动（如增殖、分化、程序性细胞死亡、迁移和化学侵袭）的化合物。更具体地，本发明提供了用于调节c-Kit激酶活性的化合物以及利用这些化合物和制药组合物治疗由c-Kit活性介导的疾病的方法。
• METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA
  申请人：Lamb Peter

  公开号：US20100209420A1

  公开（公告）日：2010-08-19

  The present invention provides methods of treating cancer by administering a compound of Formula I, optionally as a pharmaceutically acceptable salt, solvate and/or hydrate thereof, in combination with other cancer treatments. (Formula I)

  本发明提供了一种通过与其他癌症治疗方法联合使用的方式，给予公式I化合物（可选择其作为药用盐，溶剂或水合物）来治疗癌症的方法。（公式I）