CAS: 824-54-4; 2-Bromo-4-Methylbenzaldehyde

• 英文名称2-Bromo-4-Methylbenzaldehyde
• 中文名称2-溴-4-甲基苯甲醛
• IUPAC名称2-bromo-4-methylbenzaldehyde
• 其它别名2-Bromo-4-Methylbenzaldehyde, Technical Grade; 2-Bromo-P-Tolualdehyde; Muzmdycvucmidc-Uhfffaoysa-N; Benzaldehyde, 2-Bromo-4-Methyl-; 2-Bromo-4-Meth
• CAS编号824-54-4
• MFCD编号:MFCD04039890
• EINECS号:625-357-5
• 分子式:C8H7BrO
• 分子量:199.05
• 产品CID: 1815304
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: MUZMDYCVUCMIDC-UHFFFAOYSA-N
• InChI=1S/C8H7BrO/c1-6-2-3-7(5-10)8(9)4-6/h2-5H,1H3…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

物理性质

• 熔点30-35°C
• 沸点114-115 °C at 5 mmHg
• 闪点90.2±9.1 °C
• 密度1.5±0.1 g/cm3
• PSA:17.07
• LogP:2.57002
• 折射率1.597
• 蒸汽压0.0±0.5 mmHg at 25°C
• 敏感性空气敏感
• 外观形态黄色粉末
• 储存条件请置于阴暗处, 惰性气氛中,室温
• 产品应用该化合物是异构化和分子内黑热反应; KNOEVENGEL凝结; N-(Α-甲基-P-甲基苯氧苯并基)-IMINO-酯的循环; 甲醚和氧化性异环化/碳融化; 分子内分解; 烷的分子和内分子间和分子间间水化; 用芳烃藻类对藻类的分子间分子和分子内部水化.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501
• UN编号3276
• 危险品标志Xi
• 安全声明26-36
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 2-Bromo-4-Methylbenzaldehyde 主要起始原料 (2-Bromo-4-Methylphenyl)Methanol
• 42872-73-1 = 824-54-4
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Toluene; 0 °C; 0 °C -> 45 °C; 12 H,45 °C; 45 °C -> Rt1.2 Solvents: Methanol,Toluene,Water; Rt
  标题:Palladium-Catalyzed Intramolecular Hydroaminocarbonylation To Lactams: Additive-Free Protocol Initiated By Palladium Hydride
  作者:Hu,Yue; Et Al
  参考文献:Acs Catalysis 日期:2016 卷标:6(10) 页码:6785-6789]
  
  583-68-6 = 824-54-4
  反应条件:1.1 Reagents: Sodium Acetate,Sodium Nitrite,Hydrochloric Acid,Sodium Sulfite,Copper Sulfate Solvents: Water; 0 °C1.2 Reagents: Sodium Acetate,Hydroxyamine Hydrochloride Solvents: Water; Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Reflux
  标题:Properties And Synthesis Of 2-{2-Fluoro (Or Bromo)-4-[(2-Oxocyclopentyl)Methyl]Phenyl}Propanoic Acid: Nonsteroidal Anti-Inflammatory Drugs With Low Membrane Permeabilizing And Gastric Lesion-Producing Activities
  作者:Yamakawa,Naoki; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2010 卷标:53(21) 页码:7879-7882]
  
  75-17-2 + 53926-63-9 = 824-54-4
  反应条件:1.1 Reagents: Sodium Acetate,Hydrochloric Acid,Water,Sodium Sulfite,Copper Sulfate Pentahydrate Solvents: Water
  标题:2-Bromo-4-Methylbenzaldehyde
  作者:Jolad,Shivanand D.; Et Al
  参考文献:Organic Syntheses 日期:1966 卷标:46 页码:13-16]
  
  583-68-6 = 824-54-4 [标题:Reaction Conditions
  标题:Benzothiazines In Synthesis. Formal Syntheses Of (+)-Curcumene And (+)-Curcuphenol
  作者:Harmata,Michael; Et Al
  参考文献:Tetrahedron Letters 日期:2003 卷标:44(39) 页码:7261-7264]
  
  = 824-54-4
  反应条件:1.1 Solvents: Hexamethylphosphoramide
  标题:Halogenated Arenes In The Duff Reaction Under High Pressure. 2. Formylation And Amidomethylation Of Halogenated Arenes In Trifluoroacetic Acid
  作者:Sedishev,I. P.; Et Al
  参考文献:Izvestiya Akademii Nauk 日期:1995 卷标:(11) 页码:2221-4]
  
  = 824-54-4
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid,N-Bromosuccinimide Catalysts: Palladium Diacetate Solvents: 1,2-Dichloroethane; 12 H,75 °C2.1 Reagents: Diisobutylaluminum Hydride Solvents: Toluene; 0 °C; 0 °C -> 45 °C; 12 H,45 °C; 45 °C -> Rt2.2 Solvents: Methanol,Toluene,Water; Rt
  标题:Palladium-Catalyzed Intramolecular Hydroaminocarbonylation To Lactams: Additive-Free Protocol Initiated By Palladium Hydride
  作者:Hu,Yue; Et Al
  参考文献:Acs Catalysis 日期:2016 卷标:6(10) 页码:6785-6789]
  
  824-53-3 = 824-54-4
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Silver,Copper,Silica Solvents: Toluene,Water; 4 H,120 °C
  标题:Synthesis Of Smart Bimetallic Nano-Cu/ag@sio2 For Clean Oxidation Of Alcohols
  作者:Saha,Arijit; Et Al
  参考文献:New Journal Of Chemistry 日期:2017 卷标:41(22) 页码:13377-13381]
  
  104-87-0 = 824-54-4
  反应条件:1.1 Reagents: Bromine Solvents: Methanol; 24 H,0 °C -> Rt
  标题:Sequential One-Pot Process To Construct A Dual C-C Bond: Synthesis Of Fluorenes And Total Synthesis Of 4-O-Demethyl-Nobilone
  作者:Shekhar,Chander; Et Al
  参考文献:Chemistryselect 日期:2023 卷标:8(26)]
  
  42872-73-1 = 824-54-4
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Toluene; 0 °C; 0 °C -> 45 °C; 12 H,45 °C; 45 °C -> Rt1.2 Reagents: Methanol Solvents: Toluene
  标题:Palladium-Catalyzed Ring-Forming Aminoalkenylation Of Alkenes With Aldehydes Initiated By Intramolecular Aminopalladation
  作者:Hu,Yue; Et Al
  参考文献:Angewandte Chemie 日期:2017 卷标:56(9) 页码:2473-2477]
  
  938461-09-7 = 824-54-4
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Dichloromethane,Tetrahydrofuran; 1 H,-78 °C1.2 Reagents: Methanol,Potassium Sodium Tartrate Solvents: Water; 5 H,Rt
  标题:Enantioselective Lewis Acid Catalyzed Ortho Photocycloaddition Of Olefins To Phenanthrene-9-Carboxaldehydes
  作者:Stegbauer,Simone; Et Al
  参考文献:Angewandte Chemie 日期:2018 卷标:57(44) 页码:14593-14596]
  
  824-53-3 = 824-54-4
  反应条件:1.1 Reagents: Triphenylmethanol Catalysts: Iron Chloride (Fecl3); 1 H,55 °C
  标题:Fe(Iii)-Catalyzed Trityl Benzyl Ether Formation And Disproportionation Cascade Reactions To Yield Benzaldehydes
  作者:Wang,Xiaoyu; Et Al
  参考文献:Tetrahedron 日期:2015 卷标:71(38) 页码:6744-6748]
  
  824-53-3 = 824-54-4
  反应条件:1.1 Reagents: 2-Iodoxybenzoic Acid Solvents: Ethyl Acetate; Rt -> 80 °C; 2 H,80 °C
  标题:Stereoselective Synthesis Of A Podophyllum Lignan Core By Intramolecular Reductive Nickel-Catalysis
  作者:Xiao,Jian; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(16) 页码:2040-2043]
  
  104-87-0 = 824-54-4
  反应条件:1.1 Reagents: Tert-Butylamine Solvents: 1,2-Dichloroethane; 4 H,70 °C1.2 Reagents: 2,6-Lutidine,Boron Tribromide Solvents: Dichloromethane,1,2-Dichloroethane; 21 °C; 4 H,21 °C1.3 Reagents: Selectfluor Solvents: Acetonitrile,Water; 12 H,55 °C
  标题:Boron-Mediated Regioselective Aromatic C-H Functionalization Via An Aryl Bf2 Complex
  作者:Shinde,Ganesh H.; Et Al
  参考文献:Chemistry - A European Journal 日期:2023 卷标:29(10)]
  
  71838-16-9 = 824-54-4
  反应条件:1.1 Reagents: Magnesate(1-),Dichloro(1-Methylethyl)-,Lithium (1:1) Solvents: Tetrahydrofuran; 1 H,Rt -> -60 °C1.2 -60 °C; 30 Min,Rt
  标题:An Integrated High Throughput Experimentation/predictive Qsar Modeling Approach To Ansa-Zirconocene Catalysts For Isotactic Polypropylene
  作者:Ehm,Christian; Et Al
  参考文献:Polymers (Basel 日期:2020 卷标:12(5)]
  
  583-68-6 = 824-54-4 [标题:Reaction Conditions
  标题:Synthesis Of 2,7-Dimethylanthracene By A Route Which Is Potentially A General One
  作者:Lai,Yee Hing; Et Al
  参考文献:Australian Journal Of Chemistry 日期:1992 卷标:45(12) 页码:2067-71]
  
  583-68-6 + 75-17-2 = 824-54-4
  反应条件:1.1 Reagents: Sodium Acetate,Sodium Nitrite,Hydrochloric Acid,Water,Sodium Sulfite,Copper Sulfate Pentahydrate Solvents: Water
  标题:2-Bromo-4-Methylbenzaldehyde
  作者:Jolad,Shivanand D.; Et Al
  参考文献:Organic Syntheses 日期:1966 卷标:46 页码:13-16]
  
  80649-96-3 + 75-17-2 = 824-54-4
  反应条件:1.1 Reagents: Hydrochloric Acid,Copper Sulfate Solvents: Water; 2 H,Heated
  标题:Formaldoxime
  作者:De Kimpe,Norbert
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001 卷标:1 页码:1-2]
  
  172504-98-2 = 824-54-4
  反应条件:1.1 Reagents: Phosphoric Tribromide Solvents: Chloroform; 10 Min,0 °C; 45 - 60 Min,Rt1.2 Solvents: Chloroform; 10 - 15 H,0 °C1.3 Reagents: Potassium Carbonate Solvents: Water; Neutralized,0 °C
  标题:One-Pot Tandem Amidation,Knoevenagel Condensation,And Palladium-Catalyzed Wacker Type Oxidation/c-O Coupling: Synthesis Of Chromeno-Annulated Imidazopyridines
  作者:Pandey,Khima; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2018 卷标:83(15) 页码:8026-8035]
  
  583-68-6 = 824-54-4
  反应条件:1.1 Reagents: Sodium Nitrite,Hydrochloric Acid Solvents: Water2.1 Reagents: Sodium Acetate,Hydrochloric Acid,Water,Sodium Sulfite,Copper Sulfate Pentahydrate Solvents: Water
  标题:2-Bromo-4-Methylbenzaldehyde
  作者:Jolad,Shivanand D.; Et Al
  参考文献:Organic Syntheses 日期:1966 卷标:46 页码:13-16]
  
  881-17-4 = 824-54-4
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synthesis Of Indan Derivatives
  作者:Munavalli,Somashekhar; Et Al
  参考文献:Bulletin De La Societe Chimique De France 日期:1964 卷标:(12) 页码:3103-12]
  
  = 824-54-4
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid,N-Bromosuccinimide Catalysts: Palladium Diacetate Solvents: 1,2-Dichloroethane; 12 H,75 °C2.1 Reagents: Diisobutylaluminum Hydride Solvents: Toluene; 0 °C; 0 °C -> 45 °C; 12 H,45 °C; 45 °C -> Rt2.2 Reagents: Methanol Solvents: Toluene
  标题:Palladium-Catalyzed Ring-Forming Aminoalkenylation Of Alkenes With Aldehydes Initiated By Intramolecular Aminopalladation
  作者:Hu,Yue; Et Al
  参考文献:Angewandte Chemie 日期:2017 卷标:56(9) 页码:2473-2477]
  
  128-08-5 = 824-54-4 [标题:Reaction Conditions
  标题:Synthesis Of 2,7-Dimethylanthracene By A Route Which Is Potentially A General One
  作者:Lai,Yee Hing; Et Al
  参考文献:Australian Journal Of Chemistry 日期:1992 卷标:45(12) 页码:2067-71]
  
  = 824-54-4
  反应条件:1.1 Catalysts: Sodium Hydroxide,Hydroxyamine Hydrochloride Solvents: Methanol2.1 Catalysts: Hydrochloric Acid,Copper Sulfate Solvents: Water; 2 H,Heated
  标题:Formaldoxime
  作者:De Kimpe,Norbert
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]
  
  = 824-54-4
  反应条件:1.1 Reagents: Sodium Acetate,Hydroxyamine Hydrochloride Solvents: Water2.1 Reagents: Sodium Acetate,Sodium Nitrite,Hydrochloric Acid,Water,Sodium Sulfite,Copper Sulfate Pentahydrate Solvents: Water
  标题:2-Bromo-4-Methylbenzaldehyde
  作者:Jolad,Shivanand D.; Et Al
  参考文献:Organic Syntheses 日期:1966 卷标:46 页码:13-16]
  
  7697-27-0 + 6638-79-5 = 824-54-4
  反应条件:1.1 Reagents: Oxalyl Chloride Solvents: Dichloromethane; 0 °C1.2 Catalysts: Dimethylformamide; 0 °C -> Rt; 3 H,Rt1.3 Reagents: Triethylamine Solvents: Dichloromethane; 0 °C -> Rt; 90 Min,Rt1.4 Reagents: Sodium Bicarbonate Solvents: Water; Rt2.1 Reagents: Diisobutylaluminum Hydride Solvents: Dichloromethane,Tetrahydrofuran; 1 H,-78 °C2.2 Reagents: Methanol,Potassium Sodium Tartrate Solvents: Water; 5 H,Rt
  标题:Enantioselective Lewis Acid Catalyzed Ortho Photocycloaddition Of Olefins To Phenanthrene-9-Carboxaldehydes
  作者:Stegbauer,Simone; Et Al
  参考文献:Angewandte Chemie 日期:2018 卷标:57(44) 页码:14593-14596]
  
  87808-49-9 = 824-54-4
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Tetrahydrofuran,Hexane; -78 °C; -78 °C -> Rt; 6 H,Rt1.2 Solvents: Water; 0 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 12.1 Reagents: 2-Iodoxybenzoic Acid Solvents: Ethyl Acetate; Rt -> 80 °C; 2 H,80 °C
  标题:Stereoselective Synthesis Of A Podophyllum Lignan Core By Intramolecular Reductive Nickel-Catalysis
  作者:Xiao,Jian; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(16) 页码:2040-2043

海关参考信息

• 2912110000-甲醛
  2912210000-苯甲醛
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