4-环己基-1-硝基苯 | 5458-48-0

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类硝化物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-环己基-1-硝基苯
• 中文别名: 4-环己基硝基苯
• 英文名称: 4-cyclohexylnitrobenzene
• 英文别名: 4-cyclohexyl-nitrobenzene；1-cyclohexyl-4-nitrobenzene；p-cyclohexylnitrobenzene；1-cyclohexyl-4-nitro-benzene；1-Cyclohexyl-4-nitro-benzol；<4-Nitro-phenyl>-cyclohexan
• CAS: 5458-48-0
• 化学式: C₁₂H₁₅NO₂
• mdl: MFCD00130008
• 分子量: 205.257
• InChiKey: FUVKJYZTELKRRB-UHFFFAOYSA-N

物化性质

• 熔点：
  60-62
• 沸点：
  343.93°C (rough estimate)
• 密度：
  1.124

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2904209090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存于室温、密闭且干燥的环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Cyclohexyl-1-nitrobenzene
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: 4-Cyclohexyl-1-nitrobenzene
CAS number: 5458-48-0

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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: C12H15NO2
Molecular weight: 205.3

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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：

  4-环己基-1-硝基苯 在 盐酸 、 硝酸 、 铁粉 作用下， 生成 4-硝基碘苯
  参考文献：
  名称：

  Mayes; Turner, Journal of the Chemical Society, 1929, p. 507

  摘要：

  DOI：
• 作为产物：
  描述：

  氯代环己烷 在 三氯化铝 作用下， 生成 4-环己基-1-硝基苯
  参考文献：
  名称：

  Mayes; Turner, Journal of the Chemical Society, 1929, p. 507

  摘要：

  DOI：

文献信息

• Facile Synthesis of Chiral Arylamines, Alkylamines and Amides by Enantioselective NiH‐Catalyzed Hydroamination
  作者：Lingpu Meng、Jingjie Yang、Mei Duan、You Wang、Shaolin Zhu

  DOI：10.1002/anie.202109881

  日期：2021.10.25

  hydroalkylamination and hydroamidation of styrenes have been developed by NiH catalysis with a simple bioxazoline ligand under mild conditions. A wide range of enantioenriched benzylic arylamines, alkylamines and amides can be easily accessed by nitroarenes, hydroxylamines and dioxazolones, respectively as amination reagents. The chiral induction in these reactions is proposed to proceed through an enantiodifferentiating

  苯乙烯的区域选择性和对映选择性加氢芳基化、加氢烷基胺化和加氢酰胺化已在温和条件下通过 NiH 催化与简单的生物恶唑啉配体开发。硝基芳烃、羟胺和二恶唑酮分别作为胺化试剂可以很容易地获得各种富含对映体的苄基芳胺、烷基胺和酰胺。这些反应中的手性诱导被提议通过对映体分化的顺式氢化镍步骤进行。
• Glucagon antagonists/inverse agonists
  申请人：Noro Nordisk A/S

  公开号：US06503949B1

  公开（公告）日：2003-01-07

  Disclosed is a novel class of compounds of formula (I) wherein V, A, Y, Z, R1, E, X and D are as defined in the specification. These compounds act to antagonize the action of the glucagon hormone on the glucagon receptor. Owing to their antagonizing effect of the glucagon receptor, the compounds are suitable for treating or preventing glucagon-mediated conditions and diseases such as hyperglycemia, Type 1 diabetes, Type 2 diabetes and obesity.

  揭示了一类新的化合物，其化学式为（I），其中V、A、Y、Z、R1、E、X和D的定义如规范中所述。这些化合物作用于拮抗胰高血糖素激素对胰高血糖素受体的作用。由于这些化合物对胰高血糖素受体的拮抗作用，它们适用于治疗或预防由胰高血糖素介导的疾病和病症，如高血糖、1型糖尿病、2型糖尿病和肥胖症。
• [DE] VERFAHREN ZUR DURCHFÜHRUNG CHEMISCHER REAKTIONEN UNTER BETEILIGUNG VON AN FLUORIERTEN TRÄGERMATERIALIEN ÜBER FLUOR-FLUOR-WECHSELWIRKUNGEN ADSORBIERTEN VERBINDUNGEN<br/>[EN] METHOD FOR CARRYING OUT CHEMICAL REACTIONS INVOLVING COMPOUNDS ADSORBED ON FLUORINATED CARRIER MATERIALS BY MEANS OF FLUORINE-FLUORINE INTERACTIONS<br/>[FR] PROCEDE DE REALISATION DE REACTIONS CHIMIQUES EN PRESENCE DE COMPOSES ABSORBES SUR DES SUPPORTS FLUORES PAR INTERACTIONS FLUOR-FLUOR
  申请人：UNIV ALBERT LUDWIGS FREIBURG

  公开号：WO2004013068A1

  公开（公告）日：2004-02-12

  Die Erfindung betrifft ein Verfahren zur Durchführung einer chemischen Reaktion einer Verbindung B unter Beteiligung einer Verbindung A-F, wobei die Verbindung A-F an einem fluorierten Trägermaterial FT über Fluor-Fluor-Wechselwirkungen unter Bildung eines Adduktes (A-F):(FT) adsorbiert ist, dadurch gekenn-zeichnet, dass das Addukt (A-F):(FT) in einem geeigneten Lösungsmittel, welches die Verbindung B enthält, suspendiert wird, wordurch die Verbindung B unter Beteiligung der adsorbierten Verbindung A-F zu dem Reaktionsprodukt B' reagiert.

  这项发明涉及一种在涉及化合物A-F的情况下通过化合物B进行化学反应的方法，其中化合物A-F通过氟-氟相互作用吸附在氟化载体材料FT上形成一个加合物(A-F):(FT)，其特征在于，将加合物(A-F):(FT)悬浮在含有化合物B的适当溶剂中，从而使得化合物B在参与吸附的化合物A-F的作用下与反应产物B'发生反应。
• Oxazolidinone derivatives
  申请人：Hoffmann-La Roche Inc.

  公开号：US05574055A1

  公开（公告）日：1996-11-12

  The present invention relates to compounds of the formula: ##STR1## wherein R is H or alkyl; Y.sup.1 is --CH.dbd. or --N.dbd.; and Y.sup.2 --CH.dbd., --C(OH).dbd., --C(NO.sub.2).dbd., --C(NH.sub.2).dbd., --C(Hal).dbd., --N.dbd.; X is cycloalkenyl; bicyclo[2.2.1]hept-2-yl, optionally substituted by phenyl-2-oxo-5 -methoxymethyl-oxazolidinyl; bicyclo[2.2.1]-hept-5 -en-2-yl; adamantyl; or cycloalkyl or piperidinyl, optionally substituted by amino, alkyl, --CN, oxo hydroxyimino, ethylenedioxy or by --OR.sup.1, R.sup.1 is --CH(C.sub.6 H.sub.5).sub.2, --(CH.sub.2).sub.n C.sub.6 H.sub.5, alkyl, H, --(CH.sub.2).sub.n NHCOCH.sub.3, --(CH.sub.2).sub.n NH.sub.2, --(CH.sub.2).sub.n CN, --(CH.sub.2).sub.n SCH.sub.3 --(CH.sub.2).sub.n SO.sub.2 CH.sub.3, --CO-lower-alkyl, --COC.sub.6 H.sub.5, optionally substituted by oxazolidine; or by .dbd.CR.sup.2 R.sup.3, R.sup.2 is alkyl R.sup.3 is H, --CN, alkyl, phenyl or COO-alkyl; or by --(CH.sub.2).sub.n R.sup.4 R.sup.4 is --CN, amino, --NHCOCH.sub.3, --COC.sub.6 H.sub.5 Hal, phenyl or hydroxy; or by --COR.sup.5, R.sup.5 is alkyl, --CH.dbd.CH--C.sub.6 H.sub.5, --C.sub.6 H.sub.5, --C.sub.6 H.sub.5 CF.sub.3 or --O-alkyl; or by --NR.sup.6 R.sup.7, R.sup.6 is or --COCH.sub.3 ; R.sup.7 is --COCH.sub.3, benzyl or --(CH.sub.2).sub.n NHCOC.sub.6 H.sub.4 Hal; and n is 1-3; These can be used for the prevention or control of depressive, panic and anxiety states, and treatment of certain cognitive disorders and neurodegenerative diseases.

  本发明涉及以下式化合物：##STR1## 其中R为H或烷基；Y.sup.1为--CH.dbd.或--N.dbd.；Y.sup.2为--CH.dbd.，--C(OH).dbd.，--C(NO.sub.2).dbd.，--C(NH.sub.2).dbd.，--C(Hal).dbd.，--N.dbd.；X为环烯烃基；双环[2.2.1]庚-2-基，可选地被苯基-2-氧代-5-甲氧甲基-噁唑啉基取代；双环[2.2.1]-庚-5-烯-2-基；脱氢莰基；或环烷基或哌啶基，可选地被氨基，烷基，--CN，氧代羟亚胺基，乙二氧基或--OR.sup.1 取代，R.sup.1为--CH(C.sub.6 H.sub.5).sub.2，--(CH.sub.2).sub.n C.sub.6 H.sub.5，烷基，H，--(CH.sub.2).sub.n NHCOCH.sub.3，--(CH.sub.2).sub.n NH.sub.2，--(CH.sub.2).sub.n CN，--(CH.sub.2).sub.n SCH.sub.3--(CH.sub.2).sub.n SO.sub.2 CH.sub.3，--CO-较低烷基，--COC.sub.6 H.sub.5，可选地被噁唑啉基取代；或.dbd.CR.sup.2 R.sup.3，R.sup.2为烷基，R.sup.3为H，--CN，烷基，苯基或COO-烷基；或--(CH.sub.2).sub.n R.sup.4，R.sup.4为--CN，氨基，--NHCOCH.sub.3，--COC.sub.6 H.sub.5 Hal，苯基或羟基；或--COR.sup.5，R.sup.5为烷基，--CH.dbd.CH--C.sub.6 H.sub.5，--C.sub.6 H.sub.5，--C.sub.6 H.sub.5 CF.sub.3或--O-烷基；或--NR.sup.6 R.sup.7，R.sup.6为或--COCH.sub.3；R.sup.7为--COCH.sub.3，苄基或--(CH.sub.2).sub.n NHCOC.sub.6 H.sub.4 Hal；n为1-3；这些化合物可用于预防或控制抑郁、恐慌和焦虑状态，并治疗某些认知障碍和神经退行性疾病。
• Alkylation of Nitroaromatics with Trialkyborane
  作者：N. Palani、Karamil Jayaprakash、Shmaryahu Hoz

  DOI：10.1021/jo034218q

  日期：2003.5.1

  studied (CHO, PHCO, SO(2)Ph, and CN), it is the latter group which was preferentially displaced by the alkyl group. According to the suggested mechanism, the radical anion of the substrate combines with the alkyl radical released from the boranyl radical to form a Meisenheimer complex. The reaction takes place at the ring carbon bearing the highest spin density in accordance with ab initio calculations

  当对二硝基苯在t-BuOK的存在下于t-BuOH或THF中与Et（3）B反应时，会生成对硝基乙苯。在本报告中，我们通过监控各种参数对反应的影响来检查这种转化的范围。已经发现该反应对温度极其敏感，而对所用的碱-溶剂组合不敏感。它还对碱的空间位阻不敏感：使用2,6-二异丙基苯氧基钠或使用NaH可获得良好的收率。使用从直链到多环的各种烷基硼烷进行烷基化。如果其中一个硝基被另一个吸电子基团取代，则产率会显着下降。在所研究的所有情况下（CHO，PHCO，SO（2）Ph和CN），后者都是优先被烷基取代的基团。根据建议的机理，底物的自由基阴离子与从硼基自由基释放的烷基自由基结合形成迈森海默络合物。根据从头算在B3LYP / 6-31 + G的水平上的计算，反应在具有最高自旋密度的环碳上进行。