4,4,-二(4-氟苯)氯丁烷 | 3312-04-7

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 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: 4,4,-二(4-氟苯)氯丁烷
• 英文名称: 4-chloro-1,1-bis(4-fluorophenyl)butane
• 英文别名: 1,1-(4-chlorobutylidene)bis(4-fluorobenzene)；4,4'-(4-chlorobutane-1,1-diyl)bis(fluorobenzene)；1,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)；1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene
• CAS: 3312-04-7
• 化学式: C₁₆H₁₅ClF₂
• mdl: MFCD00044723
• 分子量: 280.745
• InChiKey: UXXLTPGCINZEFM-UHFFFAOYSA-N

物化性质

• 沸点：
  128 °C (0.1 mmHg)
• 密度：
  1.2
• 闪点：
  187 °C
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）
• LogP：
  5.79 at 25℃
• 稳定性/保质期：
  <p><b></b></p>

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• 海关编码：
  2903999090

SDS

Name:	1 1 -(4-Chlorobutylidene)bis-(4-fluorobenzene) tech. 90+% Material Safety Data Sheet
Synonym:	None
CAS:	3312-04-7

Section 1 - Chemical Product MSDS Name:1 1 -(4-Chlorobutylidene)bis-(4-fluorobenzene) tech. 90+% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
3312-04-7	1,1'-(4-Chlorobutylidene)bis(4-fluorob	90	221-998-6

Hazard Symbols: XN
Risk Phrases: 22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.

---

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. 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 appropriate 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. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 3312-04-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: yellow to brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 128 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 187 deg C ( 368.60 deg F)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: 2 mg/l (20 c)
Specific Gravity/Density: 1.2000g/cm3
Molecular Formula: C16H15ClF2
Molecular Weight: 280.73

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3312-04-7 unlisted.
LD50/LC50:
Not available.
Oral, Rat: LD50 = 640 Carcinogenicity:
1,1'-(4-Chlorobutylidene)bis(4-fluorobenzene) - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 28B After contact with skin, wash immediately with
plenty of water and soap.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 3312-04-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3312-04-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3312-04-7 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

反应信息

• 作为反应物：
  描述：

  4,4,-二(4-氟苯)氯丁烷 生成 1'-[4,4-bis(4-fluorophenyl)butyl]-5-chlorospiro[benzofuran-2(3H)4'-piperidine]oxalate
  参考文献：
  名称：

  KOSLEY, R. W. ,, JR.;CHERILL, R. J.

  摘要：

  DOI：
• 作为产物：
  描述：

  4,4'-二氟二苯甲酮 在 吡啶 、 氯化亚砜 、 5%-palladium/activated carbon 、 氢气 、 对甲苯磺酸 、 magnesium 作用下， 以 四氢呋喃 、 水 、 异丙醇 、 甲苯 为溶剂， 25.0~80.0 ℃ 、500.01 kPa 条件下， 反应 24.0h， 生成 4,4,-二(4-氟苯)氯丁烷
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION OF A FLUSPIRILENE INTERMEDIATE
  [FR] PROCÉDÉ DE PRÉPARATION D'UN INTERMÉDIAIRE FLUSPIRILÈNE

  摘要：

  本发明涉及一种制备4,4'-双(氟苯)衍生物的方法，该化合物是一些药物的合成中间体，例如在fluspirilene的合成中。本发明还涉及新的合成中间体化合物。

  公开号：

  WO2016071723A1

文献信息

• 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts
  申请人：The Upjohn Company

  公开号：US03960961A1

  公开（公告）日：1976-06-01

  This invention relates to novel 4-phenylcyclohexylamines embraced by the formula ##SPC1## Wherein .about. is a generic expression denoting cis and trans stereoconfiguration and mixtures thereof; R is selected from the group consisting of alkyl of from one through four carbon atoms, fluorine, chlorine, bromine, trifluoromethyl, nitro and alkoxy of from one through four carbon atoms; R' and R.sup.1 are selected from the group consisting of hydrogen and alkyl of from one through four carbon atoms; R.sup.2 is selected from the group consisting of hydrogen, alkyl of from one through four carbon atoms, alkanoyl of from one through three carbon atoms, alkylsulfonyl of from one through three carbon atoms, arylsulfonyl of from six through ten carbon atoms, alkylcarbamoyl wherein alkyl is from one through four carbon atoms, alkoxycarbonyl wherein alkyl is from one through four carbon atoms, ring monosubstituted aroylalkyl wherein the substituents have the same meaning as R, above, aryl is from six through ten carbon atoms and alkyl is from one through six carbon atoms and bis (ring monosubstituted) arylalkyl wherein the substituents have the same meaning as R, above, aryl is from six through ten carbon atoms and alkyl is from one through six carbon atoms; R.sup.1 and R.sup.2 when taken together with --N< is a saturated heterocyclic amino radical selected from the group consisting of unsubstituted and monosubstituted pyrrolidino, piperidino, hexamethylenimino, morpholino and piperazino; and an acid addition salt thereof. It also relates to intermediates and processes for the preparation of the aforesaid novel compounds (1) and novel derivatives thereof. The systemic administration to humans and animals of the novel compounds (1) depresses their central nervous systems.

  这项发明涉及由以下式 embraced 的新型 4-苯基环己胺 ##SPC1## 其中 .about. 是一个通用表达式，表示顺式和反式立体构型及其混合物；R 选自由一至四个碳原子的烷基、氟、氯、溴、三氟甲基、硝基和由一至四个碳原子组成的烷氧基；R' 和 R.sup.1 选自由一至四个碳原子的氢和烷基；R.sup.2 选自由一至四个碳原子的氢、烷基、由一至三个碳原子组成的烷酰基、由一至三个碳原子组成的烷基磺酰基、由六至十个碳原子组成的芳基磺酰基、烷基氨基甲酰，其中烷基由一至四个碳原子组成，烷氧羰基，其中烷基由一至四个碳原子组成，环中单取代芳酰基烷基，其中取代基的含义与上述的 R 相同，芳基由六至十个碳原子，烷基由一至六个碳原子，以及双(环中单取代)芳基烷基，其中取代基的含义与上述的 R 相同，芳基由六至十个碳原子，烷基由一至六个碳原子；当 R.sup.1 和 R.sup.2 与 --N< 结合在一起时，是选自未取代和单取代吡咯烷基、哌啶基、六亚甲基基氮、吗啉基和哌嗪基的饱和杂环氨基基团；以及其酸盐。它还涉及制备上述新型化合物 (1) 及其新型衍生物的中间体和过程。将这些新型化合物 (1) 系统地给人类和动物静脉注射会抑制其中枢神经系统。
• Substituted anilinic piperidines as MCH selective antagonists
  申请人：Synaptic Pharmaceutical Corporation

  公开号：US06727264B1

  公开（公告）日：2004-04-27

  This invention is directed to compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therepeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier.

  这项发明涉及对黑素集中激素-1（MCH1）受体具有选择性的拮抗剂化合物。发明提供了一种药物组合物，包括治疗有效量的本发明化合物和药用可接受载体。本发明还提供了一种通过结合本发明的治疗有效量的化合物和药用可接受载体来制造的药物组合物。本发明进一步提供了一种制造药物组合物的方法，包括结合治疗有效量的本发明化合物和药用可接受载体。
• 9-amino-1,2,3,4-tetrahydroacridin-1-ol and related compounds
  申请人：Hoechst-Roussel Pharmaceuticals Inc.

  公开号：US04695573A1

  公开（公告）日：1987-09-22

  There are disclosed compounds having the formula ##STR1## wherein n is 1, 2 or 3; X is hydrogen, loweralkyl, loweralkoxy, halogen, hydroxy, nitro, trifluoromethyl, NHCOR.sub.2 where R.sub.2 is loweralkyl, or NR.sub.3 R.sub.4 where R.sub.3 and R.sub.4 are independently hydrogen or loweralkyl; R is hydrogen or loweralkyl; R.sub.1 is hydrogen, loweralkyl, diloweralkylaminoloweralkyl, arylloweralkyl, diarylloweralkyl, furylloweralkyl, thienylloweralkyl, oxygen-bridged arylloweralkyl, oxygen-bridged diarylloweralkyl, oxygen-bridged furylloweralkyl or oxygen-bridged thienylloweralkyl; Y is C.dbd.O or CR.sub.5 OH where R.sub.5 is hydrogen or loweralkyl; Z is CH.sub.2 or C.dbd.CR.sub.6 R.sub.7 where R.sub.6 and R.sub.7 are independently hydrogen or loweralkyl; or Y and Z taken together is CR.sub.5 .dbd.CH where CR.sub.5 and CH correspond to Y and Z respectively; an optical antipode thereof, or a pharmaceutically acceptable acid addition salt thereof, which are useful for enhancing memory, methods for synthesizing them, and pharmaceutical compositions comprising an effective memory enhancing amount of such a compound.

  披露了具有以下结构式的化合物##STR1##其中n为1、2或3；X为氢、较低烷基、较低烷氧基、卤素、羟基、硝基、三氟甲基、NHCOR.sub.2，其中R.sub.2为较低烷基，或NR.sub.3 R.sub.4，其中R.sub.3和R.sub.4独立地为氢或较低烷基；R为氢或较低烷基；R.sub.1为氢、较低烷基、二较低烷基氨基较低烷基、芳基较低烷基、二芳基较低烷基、呋喃基较低烷基、噻吩基较低烷基、氧桥芳基较低烷基、氧桥二芳基较低烷基、氧桥呋喃基较低烷基或氧桥噻吩基较低烷基；Y为C.dbd.O或CR.sub.5 OH，其中R.sub.5为氢或较低烷基；Z为CH.sub.2或C.dbd.CR.sub.6 R.sub.7，其中R.sub.6和R.sub.7独立地为氢或较低烷基；或Y和Z一起为CR.sub.5 .dbd.CH，其中CR.sub.5和CH分别对应于Y和Z；其光学对映体，或其药学上可接受的酸盐，用于增强记忆，合成它们的方法，以及包含有效增强记忆量的这种化合物的药物组合物。
• 4'-Fluoro-4-{[4-(phenyl)-4-alkoxy-cyclo-hexyl]amino}butyrophenones and
  申请人：The Upjohn Company

  公开号：US03965180A1

  公开（公告）日：1976-06-22

  This invention relates to novel 4-(substituted alkoxy)-4-(substituted phenyl)cyclohexylamines embraced by the formula ##SPC1## Wherein .about. is a generic expression denoting cis and trans stereoconfiguration and mixtures thereof, with the proviso that when the stereoconfiguration of the linkage connecting the cyclohexane ring and R.sup.3 O is is cis to the amino group, the linkage connecting the cyclohexane and phenyl rings is always trans, and vice versa; R is selected from the group consisting of lower alkyl of 1 through 4 carbon atoms, chlorine, fluorine, bromine, trifluoromethyl, and lower alkoxy of 1 through 4 carbon atoms; R' has the same meaning as R and in addition hydrogen; R.sup.1 is selected from the group consisting of hydrogen and lower alkyl of 1 through 4 carbon atoms; R.sup.2 is selected from the group consisting of hydrogen, lower alkyl of 1 through 4 carbon atoms, ring monosubstituted aroylalkyl wherein the substituents have the same meaning as R and R', above, aryl is from 6 through 10 carbon atoms and alkyl of from 1 through 4 carbon atoms and bis (ring monosubstituted)arylalkyl wherein the substituents have the same meaning as R and R', above, aryl is from 6 through 10 carbon atoms and alkyl of from 1 through 4 carbon atoms; R.sup.1 and R.sup.2 taken together with -N< is a saturated heterocyclic amino radical selected from the group consisting of unsubstituted and monosubstituted pyrrolidino, piperidino, hexamethyleneimino, morpholino and piperazino; R.sup.3 is lower alkyl of 1 through 4 carbon atoms; and an acid addition salt thereof. It also relates to intermediates and processes for the preparation of the aforesaid novel compounds (1) and novel derivatives thereof. The systemic administration to humans and animals of the novel compounds (1) depresses their central nervous systems.

  这项发明涉及一种新型的4-(取代烷氧基)-4-(取代苯基)环己胺，其化学式为##SPC1##其中，.about.是一个通用表达式，表示顺式和反式立体构型及其混合物，但有一个条件，即当连接环己烷环和R.sup.3 O的连接的立体构型是顺式到氨基时，连接环己烷和苯环的连接总是反式，反之亦然；R选自由1至4个碳原子的低碳基、氯、氟、溴、三氟甲基和由1至4个碳原子组成的低烷氧基；R'与R具有相同的含义，另外还包括氢；R.sup.1选自由氢和由1至4个碳原子组成的低烷基；R.sup.2选自由氢、由1至4个碳原子组成的低烷基、环中单取代芳酰基烷基，其中取代基的含义与上述的R和R'相同，芳基由6至10个碳原子组成，烷基由1至4个碳原子组成，以及双(环中单取代)芳基烷基，其中取代基的含义与上述的R和R'相同，芳基由6至10个碳原子组成，烷基由1至4个碳原子组成；R.sup.1和R.sup.2连同-N<形成的饱和杂环氨基基团选自未取代和单取代的吡咯烷基、哌啶基、己亚甲基亚胺基、吗啉基和哌嗪基；R.sup.3是由1至4个碳原子组成的低烷基；以及其酸盐加合物。它还涉及上述新化合物(1)及其新衍生物的中间体和制备过程。将这些新化合物(1)系统地给人类和动物使用会抑制它们的中枢神经系统。
• 一种烯烃化合物的烷基-芳基化的方法及应用
  申请人：中国科学院福建物质结构研究所

  公开号：CN112979399B

  公开（公告）日：2022-07-19

  本申请公开了一种烯烃化合物的烷基‑芳基化的方法，包括：由包括式II所示的化合物a、式III所示的化合物b、和式Ⅳ所示的化合物c的反应体系反应制备得到式I所示的化合物I；其中，R1选自烃基、取代烃基、杂芳基、取代杂芳基中的一种；Ar选自芳基、取代芳基、杂芳基、取代杂芳基中的一种；R2选自烃基、取代烃基、杂芳基、取代杂芳基中的一种。本申请还提供了该方法的应用。本申请提供的方法采用廉价易得的催化剂，反应条件温和，绿色环保，产物的选择性和产率都较高，为有机合成领域提供了简单有效的方法来得到昂贵的烷基谐二芳基类化合物，具有广泛的研究价值和工业化应用前景。