摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

N-丁基 2-溴苯磺酰胺 | 951885-17-9

中文名称
N-丁基 2-溴苯磺酰胺
中文别名
N-丁基2-溴苯磺酰胺;2-溴-N-N-丁基苯磺酰胺
英文名称
2-bromo-N-butylbenzenesulfonamide
英文别名
N-butyl-2-bromobenzenesulfonamide
N-丁基 2-溴苯磺酰胺化学式
CAS
951885-17-9
化学式
C10H14BrNO2S
mdl
MFCD09800950
分子量
292.197
InChiKey
GUEAABCLHZKAQF-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

  • 沸点:
    377.5±44.0 °C(Predicted)
  • 密度:
    1.420±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2.8
  • 重原子数:
    15
  • 可旋转键数:
    5
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.4
  • 拓扑面积:
    54.6
  • 氢给体数:
    1
  • 氢受体数:
    3

安全信息

  • 海关编码:
    2935009090

SDS

SDS:59e45272cd8ab22517640f91b04c52fe
查看
Material Safety Data Sheet

Section 1. Identification of the substance
N-Butyl 2-bromobenzenesulfonamide
Product Name:
Synonyms: 2-Bromo-N-butylbenzenesulfonamide

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P302+P352: IF ON SKIN: Wash with soap and water
P321: Specific treatment (see on this label)
P405: Store locked up

Section 3. Composition/information on ingredients.
N-Butyl 2-bromobenzenesulfonamide
Ingredient name:
CAS number: 951885-17-9

Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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.
Storage: Store in closed vessels.

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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C10H14BrNO2S
Molecular weight: 292.2

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, hydrogen bromide, sulfur 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

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

反应信息

  • 作为反应物:
    描述:
    N-丁基 2-溴苯磺酰胺copper(l) iodide四丁基氟化铵 、 palladium diacetate 、 三乙胺三苯基膦 作用下, 以 四氢呋喃 为溶剂, 反应 8.17h, 生成 N-(2-ethynylbenzyl)-4-methylbenzenesulfonamide
    参考文献:
    名称:
    钌催化杂环化形成吲哚,二氢异喹啉和二氢喹啉
    摘要:
    摘要 吲哚,二氢异喹啉和二氢喹啉是在胺/铵碱酸对存在下,通过钌催化的芳香族均-和双-高炔丙基胺/酰胺的杂环化反应而有效制备的。这些区域选择性5-内切和6-内型环化反应最可能是由键钌-偏二中间体的亲核捕集发生。 吲哚,二氢异喹啉和二氢喹啉是在胺/铵碱酸对存在下,通过钌催化的芳香族均-和双-高炔丙基胺/酰胺的杂环化反应而有效制备的。这些区域选择性5-内切和6-内型环化反应最可能是由键钌-偏二中间体的亲核捕集发生。
    DOI:
    10.1055/s-0032-1316539
  • 作为产物:
    描述:
    2-溴苯磺酰氯正丁胺二氯甲烷 为溶剂, 以85%的产率得到N-丁基 2-溴苯磺酰胺
    参考文献:
    名称:
    铜催化串联[3 + 2]环加成/ N-芳基化反应一锅合成三唑并二氮杂卓1,1-二氧化物衍生物
    摘要:
    描述了一种实用有效的合成方法,该方法通过铜催化的[3 + 2]环加成反应,然后进行N芳基化反应,合成了三唑并二氮杂卓-1,1-二氧化物衍生物。该方法也适用于合成吲哚啉和噻吩稠合的三唑并噻二氮杂1,1-二氧化物衍生物。
    DOI:
    10.1002/adsc.201000465
点击查看最新优质反应信息

文献信息

  • Sulfonyl Azides as Precursors in Ligand-Free Palladium-Catalyzed Synthesis of Sulfonyl Carbamates and Sulfonyl Ureas and Synthesis of Sulfonamides
    作者:Shiao Y. Chow、Marc Y. Stevens、Luke R. Odell
    DOI:10.1021/acs.joc.5b02755
    日期:2016.4.1
    An efficient synthesis of sulfonyl carbamates and sulfonyl ureas from sulfonyl azides employing a palladium-catalyzed carbonylation protocol has been developed. Using a two-chamber system, sulfonyl azides, PdCl2, and CO gas, released ex situ from Mo(CO)6, were assembled to generate sulfonyl isocyanates in situ, and alcohols and aryl amines were exploited as nucleophiles to afford a broad range of sulfonyl
    已经开发了使用钯催化的羰基化方案从磺酰叠氮化物有效合成磺酰氨基甲酸酯和磺酰脲的方法。使用两腔室系统,从Mo(CO)6异位释放的磺酰叠氮化物PdCl 2和CO气体被组装以原位生成磺酰基异氰酸酯,并且醇和芳基胺被用作亲核试剂以提供广泛的应用范围氨基甲酸酯磺酸盐和磺酰脲。还开发了通过亲核取代从磺酰基叠氮化物和胺直接形成取代的磺酰胺的方案。
  • Ruthenium-Catalyzed Cycloisomerization of Aromatic Homo- and Bis-Homopropargylic Amines/Amides: Formation of Indoles, Dihydroisoquinolines and Dihydroquinolines
    作者:Alejandro Varela-Fernández、Jesús A. Varela、Carlos Saá
    DOI:10.1002/adsc.201100095
    日期:2011.8
    Ruthenium-catalyzed cycloisomerizations of aromatic homo- and bis-homopropargylic amines/amides efficiently afford indoles, dihydroisoquinolines and dihydroquinolines. These processes were regioselective (5- and 6-endo cyclizations) on using key Ru vinylidene intermediates. The presence of an amine/ammonium base-acid pair increased the rate of cyclization and facilitated the catalytic turnover.
    钌催化的芳族均和双均炔丙基胺/酰胺的环异构化可有效提供吲哚,二氢异喹啉和二氢喹啉。这些方法是区域选择性(5-和6-内使用键茹偏中间体的环化反应)。胺/铵基酸对的存在增加了环化速率并促进了催化转化。
  • One-Pot Synthesis of Triazolothiadiazepine 1,1-Dioxide Derivatives via Copper-Catalyzed Tandem [3+2] Cycloaddition/N-Arylation
    作者:Deepak Kumar Barange、Yu-Chen Tu、Veerababurao Kavala、Chun-Wei Kuo、Ching-Fa Yao
    DOI:10.1002/adsc.201000465
    日期:2011.1.10
    A practical and efficient synthesis of triazolothiadiazepine‐1,1‐dioxide derivatives via copper‐catalyzed [3+2] cycloaddition, followed by N‐arylation is described. The method is also applicable to the synthesis of indoline‐ and thiophene‐fused triazolothiadiazepine 1,1‐dioxide derivatives.
    描述了一种实用有效的合成方法,该方法通过铜催化的[3 + 2]环加成反应,然后进行N芳基化反应,合成了三唑并二氮杂卓-1,1-二氧化物衍生物。该方法也适用于合成吲哚啉和噻吩稠合的三唑并噻二氮杂1,1-二氧化物衍生物。
  • Facial Syntheses of Bromobenzothiazines via Catalyst-Free Tandem C–H Amination/Bromination in Water
    作者:Lixin Li、Yong Li、Zhengguang Zhao、Haotian Luo、Yan-Na Ma
    DOI:10.1021/acs.orglett.9b02131
    日期:2019.8.2
    A transition-metal-free and environmentally friendly synthesis method for bromobenzothiazines through tandem C-H amination/bromination was reported. This reaction contains both intramolecular C-H amination and site-selective electrophilic bromination of arenes with NaBr as the bromo source, PhI(OAc)(2) or K2S2O8 as the oxidant, and H2O as the only solvent.
  • [EN] 1,2 DIAMIDO CYCLOALKYL SODIUM CHANNEL BLOCKERS<br/>[FR] COMPOSES 1,2 DIAMIDO CYCLOALKYLE BLOQUEURS DES CANAUX SODIQUES
    申请人:MERCK & CO INC
    公开号:WO2003101381A2
    公开(公告)日:2003-12-11
    1,2 Diamido cycloalkyl compounds that are sodium channel blockers; pharmaceutical compositions that include an effective amount of the aryl-link-aryl thiazolidin-dione and aryl-link-aryl oxazolodine-dione compounds and a pharmaceutically acceptable carrier; and a method of treatment of acute pain, chronic pain, visceral pain, inflammatory pain, or neuropathic pain, as well as irritable bowel syndrome, Crohns disease, epilepsy, partial and generalized tonic seizures, multiple sclerosis, bipolar disease, and tachy-arrhythmias by the administration of an effective amount of aryl-link-aryl thiazolidine-dione and aryl-link-aryl oxazolodine-dione compounds, either alone, or in combination with one or more therapeutically active compounds, are described.
查看更多

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