双苯甲醇-β-氯乙基醚 | 32669-06-0

• 物质功能分类: 医药中间体 - 原料药中间体
• 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: 双苯甲醇-β-氯乙基醚
• 中文别名: 1-氯-2-(二苯甲氧基)乙烷；(2-氯乙基)(二苯甲基)醚；1,1’-[(2-氯乙氧基)亚甲基]二苯；1,1"-[(2-氯乙氧基)亚甲基]二苯；双苯甲醇-&beta；-氯乙基
• 英文名称: 1,1'-[(2-chloroethoxy)methylene]bis-benzene
• 英文别名: 2-chloroethyl diphenylmethyl ether；1-chloro-2-(diphenylmethoxy)-ethane；Benzhydryl 2-chloroethyl ether；[2-chloroethoxy(phenyl)methyl]benzene
• CAS: 32669-06-0
• 化学式: C₁₅H₁₅ClO
• mdl: MFCD00037115
• 分子量: 246.737
• InChiKey: ZNVASENTCOLNJT-UHFFFAOYSA-N

物化性质

• 密度：
  1.1329 (estimate)
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090
• 储存条件：
  2-8°C

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : ((2-Chloroethoxy)Methylene)Dibenzene
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 246,73 g/mol
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
No special environmental precautions required.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
No special environmental precautions required.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation rate No data available
i) Flammability (solid, gas) No data available
j) Upper/lower No data available
flammability or
explosive limits
k) Vapour pressure No data available
l) Vapour density No data available
m) Relative density No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition No data available
temperature
q) Decomposition No data available
temperature
r) Viscosity No data available
s) Explosive properties No data available
t) Oxidizing properties No data available
Other safety information
No data available

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SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

制备方法与用途

化学性质
熔点：27.4-27.8℃。沸点：124-177℃/544Pa。

用途
苯海拉明盐酸盐的中间体。

生产方法
通过使用双苯酮，在锌粉-氢氧化钠溶液还原后，得到双苯甲醇，再与氯乙醇在硫酸参与下加热进行醚化反应制得该产品。

反应信息

• 作为反应物：
  描述：

  双苯甲醇-β-氯乙基醚 在 potassium carbonate 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 12.0h， 生成 3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one
  参考文献：
  名称：

  1- [2-（二苯基甲氧基）乙基]-和1- [2- [双（4-氟苯基甲氧基）乙基] -4-（3-苯基丙基）哌嗪的含氧类似物（GBR 12935和GBR 12909）扩展了潜力作用可卡因滥用治疗剂。

  摘要：

  对潜在的可卡因滥用滥用治疗剂的制备进行了研究，得到了一系列与1- [2-（二苯基甲氧基）乙基] -4-（3-苯基丙基）哌嗪（1a）和1- [2- [双（4-氟苯基）甲氧基]乙基] -4-（3-苯基丙基）哌嗪（分别为GBR 12935和GBR 12909），已设计，合成并评估了其与多巴胺转运蛋白的结合能力（DAT）并抑制[（3）H]标记的多巴胺（DA）的摄取。在1a-1d的苯丙基部分的苯环上加成羟基和甲氧基取代基会产生一系列有效的DAT配体（选择性5-28）。包括羟基以将中链羧酸酯结合到分子中，形成油溶性前药，适合“长效” 注射技术。在丙基侧链上引入含氧官能团后，得到的酮29和30大大降低了对DAT的亲和力，并降低了抑制[（3）H] DA和苯甲醇31-36的吸收能力，它们在结合DAT和抑制[（3）H] DA摄取方面具有很高的效力和选择性。32个对映体（34和36）在生物学测试中几乎相同。化合

  DOI：

  10.1021/jm990291q
• 作为产物：
  描述：

  二苯甲醇 在 盐酸 、 苯 作用下， 生成 双苯甲醇-β-氯乙基醚
  参考文献：
  名称：

  Benzohydryl Ethers of 2-Benzylaminoethanol and 2-(2-Pyridyl)-aminoethanol

  摘要：

  DOI：

  10.1021/ja01155a534

文献信息

• Brønsted Acid-Catalyzed Nucleophilic Substitution of Alcohols
  作者：Roberto Sanz、Alberto Martínez、Delia Miguel、Julia M. Álvarez-Gutiérrez、Félix Rodríguez

  DOI：10.1002/adsc.200606183

  日期：2006.9

  Brønsted acids such as p-toluenesulfonic acid monohydrate (PTS) or polymer-bound p-toluenesulfonic acid efficiently catalyze the direct nucleophilic substitution of the hydroxy group of allylic and benzylic alcohols with a large variety of carbon- and heteroatom-centered nucleophiles. Reaction conditions are mild, the process is conducted under an atmosphere of air without the need for dried solvents

  简单的布朗斯台德酸，例如对甲苯磺酸一水合物（PTS）或与聚合物结合的对甲苯磺酸有效地催化了烯丙基和苯甲醇的羟基被多种以碳原子和杂原子为中心的亲核试剂直接亲核取代。反应条件温和，该方法在空气气氛下进行，不需要干燥的溶剂，并且水是反应的唯一副产物。
• Various N-substituted 3-piperidine carboxylic acids or N-substituted
  申请人：Warner-Lambert Company

  公开号：US04772615A1

  公开（公告）日：1988-09-20

  Analogs of nipecotic acid are the novel compounds of the present invention. The analogs are GABA uptake inhibitors for use to treat epilepsy and, thus, the invention is also pharmaceutical compositions and methods of use therefor.

  尼佩酸的类似物是本发明的新化合物。这些类似物是GABA摄取抑制剂，用于治疗癫痫，因此，该发明还涉及药物组合物和使用方法。
• N-Benzhydryloxyethyl-N-phenylpropyl-piperazines
  申请人：Gist-Brocades N.V.

  公开号：US04202896A1

  公开（公告）日：1980-05-13

  Piperazine derivatives of the general formula ##STR1## wherein R.sub.1 -R.sub.9 are the same or different and each represents a hydrogen or halogen atom or a lower alkyl or lower alkoxy group, n is 2 or 3 and X represents a group (CH.sub.2).sub.m (in which m is 1, 2, 3 or 4) or a group --CH.sub.2 --CH.dbd.CH--, having methylene linked to the piperazine group, and acid addition and quaternary ammonium salts thereof, are described. The compounds exhibit a strong specific dopaminergic activity. Also described are methods for their preparation and use as therapeutic agents in the form of therapeutic compositions.

  通用公式##STR1##中的哌嗪衍生物，其中R.sub.1 -R.sub.9相同或不同，每个代表氢或卤素原子或较低的烷基或较低的烷氧基，n为2或3，X代表(CH.sub.2).sub.m（其中m为1、2、3或4）或一个--CH.sub.2--CH.dbd.CH--的基团，与哌嗪基团相连的亚甲基，以及其酸加合物和季铵盐。这些化合物表现出强烈的特异性多巴胺能活性。还描述了它们的制备方法和作为治疗剂的用途，以治疗组合物的形式。
• Prostaglandins
  申请人：National Research Development Corporation

  公开号：US04596823A1

  公开（公告）日：1986-06-24

  Novel compounds have a formula (I) ##STR1## wherein ##STR2## represents a bicyclo[2,2,1]hept-2Z-ene, bicyclo[2,2,1]heptane, 7-oxabicyclo[2,2,1]hept-2Z-ene, 7-oxabicyclo[2,2,1]heptane, bicyclo[2,2,2]oct-2Z-ene or bicyclo[2,2,2]octane substituted at the 5-position by the group R.sup.1 and at the 6-position by the group C(R.sup.2).dbd.NR, a 6,6-dimethyl-bicyclo[3,1,1]heptane substituted at the 5-position by the group R.sup.1 and at the 6-position by the group C(R.sup.2).dbd.NR or at the 5-position by the group C(R.sup.2).dbd.NR and at the 6-position by the group R.sup.1, a cyclohex-1-ene or cyclohexane substituted at the 4-position by the group R.sup.1 and at the 5-position by the group C(R.sup.2).dbd.NR, or a 1-hydroxycyclopentane substituted at the 2-position by the group R.sup.1 and at the 2-position by the group C(R.sup.2).dbd.NR, R.sup.1 is a 6-caboxyhex-2-enyl group or a modification thereof as defined herein, R.sup.2 is hydrogen, an aliphatic hydrocarbon group or an aliphatic hydrocarbon group substituted directly or through an oxygen or sulphur atom by an aromatic group, and R is a group --OR.sup.3, --OR.sup.4, --A--R.sup.3 or -- N.dbd.R.sup.5 in which A is --NH--, --NH.CO--, --NH.CO.CH.sub.2 N(R.sup.6)--, --NH.SO.sub.2 --, --NH.CO.NH or --NH.CS.NH-- and wherein R.sup.3 is an aliphatic hydrocarbon group, an aromatic group or an aliphatic hydrocarbon group substituted directly or through an oxygen or sulphur atom by an aromatic group, R.sup.4 is an aliphatic hydrocarbon group which is substituted through an oxygen atom ay an aliphatic hydrocarbon group which is itself substituted by an aromatic group, R.sup.5 is an aliphatic hydrocarbon group, an aromatic group or an aliphatic hydrocarbon group substituted directly or through an oxygen or sulphur atom by an aromatic group, and R.sup.6 is hydrogen, an aliphatic hydrocarbon group, an aromatic group or an aliphatic hydrocarbon group substituted directly or through an oxygen or sulphur atom by an aromatic group, with the proviso that when R is a group --OR.sup.3, --NH.COR.sup.3 or --NH.CO.NHR.sup.3 then ##STR3## excludes bicyclo[2,2,1]hept-2Z-enes and bicyclo[2,2,1]heptanes. The compounds are of value for use in pharmaceutical compositions particularly in the context of the inhibition of thromboxane activity.

  新化合物具有一个式子(I) ##STR1## 其中 ##STR2## 代表在5位由基团R.sup.1取代，在6位由基团C(R.sup.2).dbd.NR取代的双环[2,2,1]庚-2Z-烯、双环[2,2,1]庚烷、7-氧代双环[2,2,1]庚-2Z-烯、7-氧代双环[2,2,1]庚烷、在5位由基团R.sup.1取代，在6位由基团C(R.sup.2).dbd.NR取代的双环[2,2,2]辛-2Z-烯或双环[2,2,2]辛烷，或者在5位由基团R.sup.1取代，在6位由基团C(R.sup.2).dbd.NR取代的6,6-二甲基双环[3,1,1]庚烷，或者在5位由基团R.sup.1取代，在6位由基团C(R.sup.2).dbd.NR取代，或者在5位由基团C(R.sup.2).dbd.NR取代，在6位由基团R.sup.1取代的环己-1-烯或环己烷，或者在4位由基团R.sup.1取代，在5位由基团C(R.sup.2).dbd.NR取代的1-羟基环戊烷，其中R.sup.1是6-羧基己-2-烯基团或者本文中定义的其修饰物，R.sup.2是氢、脂肪烃基或者通过氧或硫原子直接或间接由芳香基取代的脂肪烃基，R是一个基团--OR.sup.3、--OR.sup.4、--A--R.sup.3或--N.dbd.R.sup.5，其中A是--NH--、--NH.CO--、--NH.CO.CH.sub.2 N(R.sup.6)--、--NH.SO.sub.2--、--NH.CO.NH或--NH.CS.NH--，R.sup.3是一个脂肪烃基、芳香基或者通过氧或硫原子直接或间接由芳香基取代的脂肪烃基，R.sup.4是一个通过氧原子由脂肪烃基取代的脂肪烃基，该脂肪烃基本身被芳香基取代，R.sup.5是一个脂肪烃基、芳香基或者通过氧或硫原子直接或间接由芳香基取代的脂肪烃基，R.sup.6是氢、脂肪烃基、芳香基或者通过氧或硫原子直接或间接由芳香基取代的脂肪烃基，条件是当R是一个基团--OR.sup.3、--NH.COR.sup.3或--NH.CO.NHR.sup.3时，##STR3## 排除双环[2,2,1]庚-2Z-烯和双环[2,2,1]庚烷。这些化合物在制药组合物中具有价值，特别是在抑制血栓素活性的背景下。
• Thiazolidinecarboxylic acid amide derivatives and their therapeutic uses
  申请人：Sankyo Company, Limited

  公开号：US05470851A1

  公开（公告）日：1995-11-28

  Thiazolidinecarboxylic acid amides having combined antiallergic and antiasthmatic activities with an antagonist activity against platelet Activating Factor and having the following general formula (I) ##STR1##

  具有联合抗过敏和抗哮喘活性的噻唑烷羧酸酰胺，具有对血小板活化因子的拮抗活性，其一般结构式如下：

表征谱图