溴甲基环己烷 | 2550-36-9

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 环烃
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 中文名称: 溴甲基环己烷
• 中文别名: 环己基甲基溴；环己基溴甲烷；(溴甲基)环己烷
• 英文名称: (bromomethylcyclohexane)
• 英文别名: Cyclohexylmethyl bromide；(Bromomethyl)cyclohexane；bromomethylcyclohexane
• CAS: 2550-36-9
• 化学式: C₇H₁₃Br
• mdl: MFCD00001509
• 分子量: 177.084
• InChiKey: UUWSLBWDFJMSFP-UHFFFAOYSA-N

物化性质

• 沸点：
  76-77 °C26 mm Hg(lit.)
• 密度：
  1.269 g/mL at 25 °C(lit.)
• 闪点：
  135 °F
• 溶解度：
  溶于氯仿、乙酸乙酯
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  3
• 危险品标志：
  Xi
• 安全说明：
  S23,S24/25,S26,S37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2903999090
• 危险品运输编号：
  UN 1993 3/PG 3
• 危险类别：
  3
• 包装等级：
  III
• 危险性防范说明：
  P210,P403+P235
• 危险性描述：
  H225
• 储存条件：
  密封在阴凉干燥的环境中。

SDS

Name:	Cyclohexylmethyl bromide 96% Material Safety Data Sheet
Synonym:	Bromomethylcyclohexane
CAS:	2550-36-9

Section 1 - Chemical Product MSDS Name:Cyclohexylmethyl bromide 96% Material Safety Data Sheet
Synonym:Bromomethylcyclohexane

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2550-36-9	Cyclohexylmethyl bromide	96	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep away from heat, sparks and flame.
Storage:
Keep away from sources of ignition. Store in a cool, dry place.
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Flammables-area.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2550-36-9: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 76 - 77 deg C @ 26 mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 57 deg C ( 134.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.280
Molecular Formula: C7H13Br
Molecular Weight: 177.08

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2550-36-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Cyclohexylmethyl bromide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: FLAMMABLE LIQUIDS, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUIDS, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUIDS, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 2550-36-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2550-36-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2550-36-9 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途

溴甲基环己烷在药物合成中扮演着重要角色。由于其分子结构中含有亚甲基和溴基，使其具备了良好的反应活性和多样化的反应途径。它既可以作为反应物或试剂用于合成各种药物化合物，又可以作为合成药物前体，通过进一步的化学反应转化为目标化合物，从而实现药物的合成。

在配体合成中，溴甲基环己烷也具有重要的应用价值。在金属有机化学中，它常被用作配体的修饰基团，通过改变配体的结构和性质，可以调控金属配合物的催化性能。作为一种常见的修饰基团，它可以用于合成各种金属配合物催化剂，例如铂配合物、钯配合物等。这些金属配合物广泛应用于有机合成领域，并参与到诸如氢化、氧化、羰基还原等重要反应中。

此外，溴甲基环己烷还可用于表面活性剂的合成。它被广泛应用于洗涤剂、乳化剂和润滑剂等领域。由于其分子中的亚甲基和溴基具有良好的亲疏水性，可以通过相应的化学反应将其转化为表面活性剂，并具备调控表面张力和界面性质的功能。

合成方法

改进溴甲基环己烷的合成工艺，采用红铝作为还原剂：以环己甲酸为起始原料，经二氢双-(二甲氧乙氧基)铝酸钠还原后，再进行三溴化磷溴化得到环己基溴甲烷。此方法中的还原反应温和，且溴化反应所用的原料价格低廉易得，适合工业化生产。

反应信息

• 作为反应物：
  描述：

  溴甲基环己烷 在 甲酸 、 C₆₆H₆₇NO₁₁S 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以14%的产率得到甲基环己烷
  参考文献：
  名称：

  柱[5]芳烃促进空腔加速有机光氧化还原催化的还原脱卤

  摘要：

  光氧化还原催化中光致电子转移的效率受到激发催化剂和基材的扩散碰撞的限制。我们在此介绍了空腔结合的光氧化还原催化剂，其预先缔合了底物，从而显着缩短了反应时间。在脂肪族溴化物的还原脱卤反应中，柱[5]芳烃用作空腔，吩噻嗪用作催化剂，作为概念反应的证明。

  DOI：

  10.1039/d1cc03221f
• 作为产物：
  描述：

  环己基甲基4-甲基苯磺酸盐 在 15-冠醚-5 、 sodium bromide 作用下， 以90.3%的产率得到溴甲基环己烷
  参考文献：
  名称：

  一种环己基溴甲烷的制备方法

  摘要：

  本发明涉及一种环己基溴甲烷的制备方法，其步骤如下：(1)、在有机溶剂中加入碱与环己甲醇，再滴加式（I）化合物，进行酯化得到有机相中间体滤液；式（I）化合物如下，其中：R为C1～12烷基、C1～12卤代烷基、C3～8环烷基、苯基、苄基或芳烃；X为卤素原子；环己甲醇与式（I）化合物的摩尔比为1:1～1:2；(2)、在上述制得的有机相中间体滤液中加入溴化物和冠醚类催化剂进行溴化反应得反应液，再经过滤除去废盐和精馏得到粗品环己基溴甲烷，再进行干燥，得到成品环己基溴甲烷。本发明具有能减少高盐废水的产生，并且缩短反应时间，提高反应速率，减低生产成本，提高产品收率的优点。

  公开号：

  CN107652162A
• 作为试剂：
  描述：

  二苯甲酮 在 magnesium 、 溴甲基环己烷 作用下， 生成 二苯甲醇 、 1,1,2,2-四苯基乙烷 、 1,1'-(2-环己基亚乙基)双-苯
  参考文献：
  名称：

  Habashi, Abida; Tadros, Wadie; Shams, Hoda Zaki, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1980, vol. 19, # 8, p. 659 - 662

  摘要：

  DOI：

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• [EN] 2-QUINOLONE DERIVED INHIBITORS OF BCL6<br/>[FR] INHIBITEURS DE BCL6 DÉRIVÉS DE 2-QUINOLONE
  申请人：CANCER RESEARCH TECH LTD

  公开号：WO2018215798A1

  公开（公告）日：2018-11-29

  The present invention relates to compounds of formula I that function as inhibitors of BCL6(B- cell lymphoma 6) activity: Formula I wherein X1, X2, X3, R1, R2, R3, R4 and R5 are each as defined herein. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer,as well as other diseases or conditions in which BCL6 activity is implicated.

  本发明涉及作为BCL6（B细胞淋巴瘤6）活性抑制剂的I式化合物：式中X1、X2、X3、R1、R2、R3、R4和R5分别如本文所定义。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗增生性疾病（如癌症）以及其他BCL6活性所涉及的疾病或病况中的用途。
• Novel compounds and compositions as protease inhibitors
  申请人：——

  公开号：US20020052378A1

  公开（公告）日：2002-05-02

  The present invention relates to novel cysteine protease inhibitors of Formula I: 1 the pharmaceutically acceptable salts and N-oxide derivatives thereof, their use as therapeutic agents and methods of making them.

  本发明涉及一种新型半胱氨酸蛋白酶抑制剂的化学式I： 1 其药用盐及N-氧化物衍生物，它们作为治疗剂的用途以及制备它们的方法。
• Discovery of 3-Substituted 1<i>H</i>-Indole-2-carboxylic Acid Derivatives as a Novel Class of CysLT₁Selective Antagonists
  作者：Huayan Chen、Hui Yang、Zhilong Wang、Xin Xie、Fajun Nan

  DOI：10.1021/acsmedchemlett.5b00482

  日期：2016.3.10

  The indole derivative, 3-((E)-3-((3-((E)-2-(7-chloroquinolin-2yl)vinyl)phenyl)amino)-3-oxoprop-1-en-1-yl )-7-methoxy-1H-indole-2-carboxylic acid (17k), was identified as a novel and highly potent and selective CysLT1 antagonist with IC50 values of 0.0059 +/- 0.0011 and 15 +/- 4 muM for CysLT1 and CysLT2, respectively.

  吲哚衍生物3-（（E）-3-（（3-（（E）-2-（7-氯喹啉-2基）乙烯基）苯基）氨基）-3-氧代丙-1-烯-1-基） -7-甲氧基-1H-吲哚-2-羧酸（17k）被确定为一种新型且高效的选择性CysLT1拮抗剂，CysLT1和CysLT2的IC50值为0.0059 +/- 0.0011和15 +/- 4μM，分别。
• Npy antagonists, preparation and uses
  申请人：Botez Iuliana

  公开号：US20090233910A1

  公开（公告）日：2009-09-17

  The present invention concerns novel compounds, their preparation and their uses, therapeutic uses in particular. More specifically it concerns derivative compounds having at least two aromatic cycles, their preparation and their uses, in particular in the area of human or animal health. These compounds have an affinity for the biological receptors of neuropeptide Y, NPY, present in the central and peripheral nervous systems. The compounds of the invention are preferably NPY antagonists, and more particularly antagonists of sub-type NPY Y1, and can therefore be used for the therapeutic or prophylactic treatment of any disorder involving NPY. The present invention also concerns pharmaceutical compositions containing said compounds, their preparation and their uses, as well as treatment methods using said compounds.

  本发明涉及新颖化合物，它们的制备和用途，特别是在治疗方面的用途。更具体地说，它涉及至少具有两个芳香环的衍生化合物，它们的制备和用途，特别是在人类或动物健康领域。这些化合物对存在于中枢和外周神经系统中的神经肽Y（NPY）的生物受体具有亲和力。本发明的化合物优选为NPY拮抗剂，更具体地说是NPY Y1亚型的拮抗剂，因此可用于治疗或预防涉及NPY的任何疾病。本发明还涉及含有所述化合物的药物组合物，其制备和用途，以及使用所述化合物的治疗方法。

表征谱图