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N-(2,6-二甲基苯基)-2-吡啶甲酰胺 | 39627-98-0

中文名称
N-(2,6-二甲基苯基)-2-吡啶甲酰胺
中文别名
N-(2,6-二甲基苯基)-2-吡啶酰胺;;N-(2,6-二甲基苯基)-2-吡啶酰胺
英文名称
N-(2,6-dimethylphenyl)picolinamide
英文别名
N-(2,6-dimethylphenyl)pyridine-2-carboxamide
N-(2,6-二甲基苯基)-2-吡啶甲酰胺化学式
CAS
39627-98-0
化学式
C14H14N2O
mdl
——
分子量
226.278
InChiKey
SHZDEASIMRREIQ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    104 °C(Solv: ethanol (64-17-5))
  • 沸点:
    290.3±35.0 °C(Predicted)
  • 密度:
    1.165±0.06 g/cm3(Predicted)
  • 溶解度:
    可溶于DMSO(少许)、甲醇(少许)

计算性质

  • 辛醇/水分配系数(LogP):
    2.7
  • 重原子数:
    17
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.14
  • 拓扑面积:
    42
  • 氢给体数:
    1
  • 氢受体数:
    2

安全信息

  • 危险品标志:
    Xi
  • 海关编码:
    2933399090
  • WGK Germany:
    3

SDS

SDS:fbad5b7259c0077cca328c1df6a3dc60
查看
Material Safety Data Sheet

Section 1. Identification of the substance
Product Name: N-(2,6-Dimethylphenyl)-2-picolinamide
Synonyms:

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

Section 3. Composition/information on ingredients.
Ingredient name: N-(2,6-Dimethylphenyl)-2-picolinamide
CAS number: 39627-98-0

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.

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.

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.

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:

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.

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: C14H14N2O
Molecular weight: 226.3

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.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

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.

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

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.


SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途:罗哌卡因和布比卡因的中间体

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    新的局部麻醉药
    摘要:
    混合酸酐法已成功用于一系列吡啶甲酰胺的合成中。这些产品中的一些加氢提供了哌啶甲酰胺,发现它们具有出色的局部麻醉性能和低毒性。
    DOI:
    10.1002/hlca.19590420430
  • 作为产物:
    描述:
    N-(2,6-dimethylphenyl)pyridine-2-carbothioamide盐酸 、 sodium nitrite 作用下, 以 为溶剂, 反应 40.0h, 以60%的产率得到N-(2,6-二甲基苯基)-2-吡啶甲酰胺
    参考文献:
    名称:
    使用软NO转化⊕ -species
    摘要:
    研究了NaNO 2在酸性溶液中与硫代羰基化合物的反应。仲和叔硫酰胺,1-苄基六氢-2H-氮杂-2-硫酮,5-乙基-5-苯基硫代巴比妥酸,某些硫脲衍生物,2H-1-苯并吡喃-2-硫酮,O,O-二苯基-硫代碳酸酯,O,S-二苯基-二硫代碳酸酯,N,N-二甲基-S-苯基-二硫代氨基甲酸酯,N-乙基-N-苯基-O-乙基-硫代氨基甲酸酯均被转化为相应的羰基类似物。4,4'-双(二甲基氨基)-二苯甲酮(Michler的硫酮)在室温下生成3-硝基-4,​​4'-双(二甲基氨基)-二苯甲酮。在(-10°C)-(-5°C)下,预期的含氧化合物与4-(N-亚硝基-甲基氨基)-4'-(二甲基氨基)-二苯甲酮一起作为主要产物获得。
    DOI:
    10.1016/0040-4020(82)85099-0
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文献信息

  • Compositions and methods for the treatment of local pain
    申请人:Kandula Mahesh
    公开号:US09173877B1
    公开(公告)日:2015-11-03
    The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of local pain may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of infiltration, nerve block, epidural, intrathecal anesthesia, pain, severe pain, chronic pain, chemotherapy induced pain, neuropathic pain, post herpetic neuralgia, neuralgia, motor neurone disease, diabetic neuropathy, postherpetic neuralgia, injury, post-operative pain, osteoarthritis, rheumatoid arthritis, multiple sclerosis, spinal cord injury, migraine, HIV related neuropathic pain, cancer pain and lower back pain.
    本发明涉及公式I的化合物或其药用可接受的盐,以及它们的 polymorphs,solvates,enantiomers,stereoisomers 和 hydrates。包括有效量的公式I化合物的药物组合物,以及用于治疗局部疼痛的方法,可以口服、颊部、直肠、局部、经皮、经粘膜、静脉内、parenteral 给药、糖浆或注射的剂型。这样的组合物可用于治疗浸润、神经阻滞、硬脊膜外麻醉、蛛网膜下腔麻醉、疼痛、严重疼痛、慢性疼痛、化疗引起的疼痛、神经性疼痛、带状疱疹后神经痛、神经痛、运动神经元病、糖尿病性神经病、带状疱疹后神经痛、损伤、术后疼痛、骨关节炎、类风湿性关节炎、多发性硬化症、脊髓损伤、偏头痛、HIV相关神经病理性疼痛、癌症疼痛和腰痛。
  • 局所疼痛の治療のための組成物と治療法
    申请人:セリックスビオ プライヴェート リミテッド
    公开号:JP2016508956A
    公开(公告)日:2016-03-24
    本発明は、化学式Iまたはその薬学的に許容される塩の化合物、ならびに多形体、溶媒和物、鏡像異性体、立体異性体および水和物に関する。化学式Iの化合物の有効量を含む医薬組成物、及び局所疼痛の治療のための方法は、経口、頬側、直腸、局所、経皮、経粘膜、静脈内、非経口投与、シロップ剤、または注射用に製剤化することができる。このような組成物は、浸潤 、神経ブロック、硬膜外、髄腔内麻酔、疼痛、重度の疼痛、慢性疼痛、化学療法誘発性疼痛、神経因性疼痛、ヘルペス後神経痛、神経痛、運動ニューロン疾患、糖尿病性神経障害、ヘルペス後神経痛、傷害、術後疼痛、変形性関節症、関節リウマチ、多発性硬化症、脊髄損傷、偏頭痛、HIV関連神経因性疼痛、癌性疼痛、および腰痛の治療に使うことができる。【選択図】なし
    本发明涉及化学式I或其药理学上可接受的盐的化合物,以及多形体、溶剂合物、对映异构体、立体异构体和水合物。含有化学式I化合物的有效量的药物组合物,以及用于治疗局部疼痛的方法可以通过口服、颊侧、直肠、局部、经皮、经粘膜、静脉内、非口服给药、糖浆剂或制备为注射剂。这样的组合物可用于浸润、神经阻滞、硬脊膜外、脊髓麻醉、疼痛、严重疼痛、慢性疼痛、化疗诱导性疼痛、神经性疼痛、带状疱疹后神经痛、神经痛、运动神经元疾病、糖尿病性神经障碍、带状疱疹后神经痛、伤害、术后疼痛、变性关节病、关节病、多发性硬化症、脊髓损伤、偏头痛、HIV相关神经性疼痛、癌性疼痛和腰痛的治疗。
  • [EN] PROCESS FOR PRODUCING PIPECOLIC-2-ACID-2 ',6'-XYLIDIDE USEFUL AS AN INTERMEDIATE FOR THE PREPARATION OF LOCAL ANESTHETICS<br/>[FR] PROCÉDÉ DE PRODUCTION D'ACIDE-2-PIPÉCOLIQUE-2',6'-XYLIDIDE UTILE EN TANT QU'INTERMÉDIAIRE POUR LA PRÉPARATION D'ANESTHÉSIQUES LOCAUX
    申请人:PHARMATHEN SA
    公开号:WO2009089842A1
    公开(公告)日:2009-07-23
    The present invention relates to an improved process for the preparation of pipecolic-2- acid-2',6'-xylidide or derivative thereof wherein it comprises hydrogenation of picolinic-2-acid-2',6'-xylidide in the presence of a Raney-nickel as a catalyst.
    本发明涉及一种改进的制备pipolic-2-酸-2',6'-xylidide或其衍生物的方法,其中它包括在存在Raney镍作为催化剂的情况下对picolinic-2-酸-2',6'-xylidide进行氢化。
  • HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE
    申请人:CE Pharm CO., LTD.
    公开号:US20190127337A1
    公开(公告)日:2019-05-02
    Provided are a heterocyclic carboxylic acid amide ligand and applications thereof in a copper catalyzed coupling reaction. Specifically, provided are uses of a compound represented by formula (I), definitions of radical groups being described in the specifications. The compound represented by formula (I) can be used as the ligand in the copper catalyzed coupling reaction of the aryl halogeno substitute, and is used or catalyzing the coupling reaction for forming the aryl halogeno substitute having C—N, C—O, C—S and other bonds.
    提供了一种杂环羧酸酰胺配体及其在铜催化的偶联反应中的应用。具体地,提供了一种由公式(I)表示的化合物的用途,其中自由基组的定义在说明书中有所描述。由公式(I)表示的化合物可作为铜催化偶联反应中芳基卤素取代物的配体,并用于催化形成具有C-N、C-O、C-S等键的芳基卤素取代物的偶联反应。
  • Experimental and mechanistic insights into copper(<scp>ii</scp>)–dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives
    作者:Yang Wang、Haixiong Liu、Xiaofeng Zhang、Zilong Zhang、Deguang Huang
    DOI:10.1039/c7ob02192e
    日期:——
    supported Cu(II)/O2 catalytic system was explored with the synthesis of pyridylmethyl-based compounds of carboxylate (PyCOOH), amide (PyC(O)NHPh), and imine (PyCHNPh) from the oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine (PyCH2NHPh) and its derivatives, by means of controlling the addition of a base and/or water to the reaction system under a dioxygen atmosphere at room temperature. Experimental
    探索了一种二(2-吡啶基甲基)苯胺((PyCH 2)2 NPh)负载的Cu(II)/ O 2催化体系,并合成了基于吡啶基甲基的羧酸盐(PyCOOH),酰胺(PyC(O)NHPh ),和亚胺(PyCH NPH)从氧化ñ的-dealkylation ñ - (2-吡啶基甲基)苯胺(PyCH 2通过在室温下在双氧气氛下控制向反应体系中碱和/或水的添加来控制NHPh)及其衍生物。实验研究表明,亚胺和酰胺类可能以羧酸盐的最终氧化态相继成为前体。提出了一种循环催化机制,包括2-吡啶基甲基基团(PyCH 2-)的碱基触发的C–H键活化和从配位的亚胺底物(PyCH NPh)提取分子间的Cu– OOHα-氢原子。
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同类化合物

(βS)-β-氨基-4-(4-羟基苯氧基)-3,5-二碘苯甲丙醇 (S)-(-)-7'-〔4(S)-(苄基)恶唑-2-基]-7-二(3,5-二-叔丁基苯基)膦基-2,2',3,3'-四氢-1,1-螺二氢茚 (S)-盐酸沙丁胺醇 (S)-3-(叔丁基)-4-(2,6-二甲氧基苯基)-2,3-二氢苯并[d][1,3]氧磷杂环戊二烯 (S)-2,2'-双[双(3,5-三氟甲基苯基)膦基]-4,4',6,6'-四甲氧基联苯 (S)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (R)富马酸托特罗定 (R)-(-)-盐酸尼古地平 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[((6-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-3-(叔丁基)-4-(2,6-二苯氧基苯基)-2,3-二氢苯并[d][1,3]氧杂磷杂环戊烯 (R)-2-[((二苯基膦基)甲基]吡咯烷 (N-(4-甲氧基苯基)-N-甲基-3-(1-哌啶基)丙-2-烯酰胺) (5-溴-2-羟基苯基)-4-氯苯甲酮 (5-溴-2-氯苯基)(4-羟基苯基)甲酮 (5-氧代-3-苯基-2,5-二氢-1,2,3,4-oxatriazol-3-鎓) (4S,5R)-4-甲基-5-苯基-1,2,3-氧代噻唑烷-2,2-二氧化物-3-羧酸叔丁酯 (4-溴苯基)-[2-氟-4-[6-[甲基(丙-2-烯基)氨基]己氧基]苯基]甲酮 (4-丁氧基苯甲基)三苯基溴化磷 (3aR,8aR)-(-)-4,4,8,8-四(3,5-二甲基苯基)四氢-2,2-二甲基-6-苯基-1,3-二氧戊环[4,5-e]二恶唑磷 (2Z)-3-[[(4-氯苯基)氨基]-2-氰基丙烯酸乙酯 (2S,3S,5S)-5-(叔丁氧基甲酰氨基)-2-(N-5-噻唑基-甲氧羰基)氨基-1,6-二苯基-3-羟基己烷 (2S,2''S,3S,3''S)-3,3''-二叔丁基-4,4''-双(2,6-二甲氧基苯基)-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2S)-(-)-2-{[[[[3,5-双(氟代甲基)苯基]氨基]硫代甲基]氨基}-N-(二苯基甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[[((1R,2R)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2-硝基苯基)磷酸三酰胺 (2,6-二氯苯基)乙酰氯 (2,3-二甲氧基-5-甲基苯基)硼酸 (1S,2S,3S,5S)-5-叠氮基-3-(苯基甲氧基)-2-[(苯基甲氧基)甲基]环戊醇 (1-(4-氟苯基)环丙基)甲胺盐酸盐 (1-(3-溴苯基)环丁基)甲胺盐酸盐 (1-(2-氯苯基)环丁基)甲胺盐酸盐 (1-(2-氟苯基)环丙基)甲胺盐酸盐 (-)-去甲基西布曲明 龙胆酸钠 龙胆酸叔丁酯 龙胆酸 龙胆紫 龙胆紫 齐达帕胺 齐诺康唑 齐洛呋胺 齐墩果-12-烯[2,3-c][1,2,5]恶二唑-28-酸苯甲酯 齐培丙醇 齐咪苯 齐仑太尔 黑染料 黄酮,5-氨基-6-羟基-(5CI) 黄酮,6-氨基-3-羟基-(6CI) 黄蜡,合成物 黄草灵钾盐