二苯基-4-吡啶基甲烷 | 3678-72-6

• 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: 二苯基-4-吡啶基甲烷
• 中文别名: 4-二苯基甲基吡啶；4-(二苯甲基)吡啶
• 英文名称: diphenyl-4-pyridylmethane
• 英文别名: Diphenyl-4-pyridylmethan；4-diphenylmethylpyridine；4-benzhydrylpyridine；4-(Diphenylmethyl)pyridine
• CAS: 3678-72-6
• 化学式: C₁₈H₁₅N
• mdl: MFCD00006436
• 分子量: 245.324
• InChiKey: ZWLWOTHDIGRTNE-UHFFFAOYSA-N

物化性质

• 熔点：
  124-126 °C (lit.)
• 沸点：
  178-184 °C(Press: 2 Torr)
• 密度：
  1.085±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，未有已知危险发生。

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.055
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090
• WGK Germany：
  3
• 储存条件：
  请将药品存放在密闭、阴凉干燥的地方。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Diphenyl-4-pyridylmethane
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.
CAS-No. : 3678-72-6
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
Classification according to Regulation (EC) No 1272/2008
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Specific target organ toxicity - single exposure (Category 3), H335
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi Irritant R36/37/38
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
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.
Supplemental Hazard none
Statements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Synonyms : 4-(Diphenylmethyl)pyridine
Formula : C18H15N
Molecular Weight : 245,32 g/mol
CAS-No. : 3678-72-6
EC-No. : 222-955-4
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
4-Benzhydrylpyridine
Skin Irrit. 2; Eye Irrit. 2; STOT -
SE 3; H315, H319, H335
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
4-Benzhydrylpyridine
Xi, R36/37/38 -
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
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
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. 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
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
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.
Specific end use(s)
A part 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
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 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
Impervious clothing., The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: crystalline
Colour: off-white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 124 - 126 °C - lit.
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, Strong acids
Hazardous decomposition products
Other decomposition products - no data available
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 sensitization
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
Inhalation - May cause respiratory irritation.
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
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
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. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
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
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  二苯基-4-吡啶基甲烷 在 sodium 、 正丁醇 作用下， 生成 4-(二苯基甲基)哌啶
  参考文献：
  名称：

  ÜberAlkylenimin-Derivate。II米特隆。哌啶衍生物麻省理工学院Wirkung I

  摘要：

  已经制备并在药理学上测试了一系列在2-位取代的新哌啶衍生物。这些化合物大多数具有中心刺激作用，尤其是2-二苯基甲基-哌啶盐酸盐。

  DOI：

  10.1002/hlca.19540370725
• 作为产物：
  描述：

  二苯基溴甲烷 在 三甲基氰硅烷 、 菲 、 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 56.17h， 生成 二苯基-4-吡啶基甲烷
  参考文献：
  名称：

  （杂）芳族腈在无过渡金属的C-C键复分解中的光诱导烷基化

  摘要：

  光诱导的C–C-σ键易位是通过无过渡金属活化1-苄基1,2,3中未应变的C（sp 3）–C（sp 3）-σ键实现的。 4-四氢异喹啉。这些前体胺的光氧化还原介导的单电子氧化产生自由基阳离子，该阳离子经历C（sp 3）–C（sp 3）-σ键的均质裂解，而不是众所周知的α-C–H断裂。由此产生的以碳为中心的自由基被用于（杂）芳族腈的ipso取代，然后通过另一种单电子转移介导的C–C键裂解和形成。

  DOI：

  10.1021/acs.orglett.7b00652

文献信息

• Metal-Free Heterogeneous Semiconductor for Visible-Light Photocatalytic Decarboxylation of Carboxylic Acids
  作者：Jiale Shi、Tao Yuan、Meifang Zheng、Xinchen Wang

  DOI：10.1021/acscatal.0c05211

  日期：2021.3.5

  ceramic boron carbon nitrides (BCN). With visible light irradiation, BCN oxidize carboxylic acids to give carbon-centered radicals, which were trapped by hydrogen atom donors or employed in the construction of the carbon–carbon bond. In this system, both (hetero)aromatic and aliphatic acids proceed the decarboxylation smoothly, and C–H, C–D, and C–C bonds are formed in moderate to high yields (35 examples

  用不含金属的陶瓷氮化硼碳（BCN）开发了一种适合的光催化脱羧羧酸的方法。在可见光照射下，BCN将羧酸氧化成以碳为中心的自由基，这些自由基被氢原子供体俘获或用于构建碳-碳键。在该系统中，（杂）芳族和脂肪族酸均能顺利进行脱羧反应，并以中等至高收率形成C–H，C–D和C–C键（35个实例，最高收率93％）。对照实验支持自由基过程，同位素实验表明甲醇被用作氢原子供体。循环测试和克级反应阐明了异质陶瓷BCN光氧化还原系统的实用性。它为有价值的碳自由基中间体的形成提供了均相催化剂的替代方法。此外，不含金属的系统还适用于消炎药（如萘普生和布洛芬）的后期功能化，这些功能丰富了化学工具箱。
• PROCESS FOR THE PREPARATION OF LACOSAMIDE
  申请人：Garimella K a s s Narayan

  公开号：US20130123537A1

  公开（公告）日：2013-05-16

  The present invention relates to an improved process for the preparation of Lacosamide of Formula (I), comprising: O-methylating a compound of Formula (V) or a compound of Formula (XX) or a compound of Formula XXII; in the presence of a methylating agent and a base to produce Lacosamide of Formula (I).

  本发明涉及一种改进的制备Lacosamide（化学式（I））的方法，包括：在存在甲基化剂和碱的情况下，对化合物（化学式（V））、化合物（化学式（XX））或化合物（化学式XXII）进行O-甲基化，以产生Lacosamide（化学式（I））。
• [EN] THE PRESENT INVENTION RELATES TO PROCESS FOR THE PREPARATION OF D-GLUCITOL, 1,5- ANHYDRO-1-C-[4-CHLORO-3-[[4-[[(3S)-TETRAHYDRO-3-FURANYL] OXY]PHENYL] METHYL]PHENYL]-, (1S) AND ITS CRYSTALLINE FORMS THEREOF.<br/>[FR] PROCÉDÉ DE PRÉPARATION DE D-GLUCITOL, 1,5- ANHYDRO-1-C-[4-CHLORO-3-[[4-[[(3S)-TÉTRAHYDRO-3-FURANYL] OXY]PHÉNYL] MÉTHYL]PHÉNYL]-, (1S) ET SES FORMES CRISTALLINES
  申请人：MSN LABORATORIES PRIVATE LTD

  公开号：WO2017130217A1

  公开（公告）日：2017-08-03

  The present invention relates to process for the preparation of D-glucitol, 1,5- anhydro-l-C-[4-chloro-3-[[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl] methyl]phenyl]-, (1S) formula- 1 and its crystalline forms thereof.

  本发明涉及一种制备D-葡萄糖醇、1,5-脱水-L-C-[4-氯-3-[[4-[(3S)-四氢-3-呋喃基氧基]苯基]甲基]苯基]-（1S）式-1及其晶体形式的方法。
• Processes for the Preparation of SGLT-2 Inhibitors, Intermediates Thereof
  申请人：Emmennar Pharma Private Limited

  公开号：US20180346502A1

  公开（公告）日：2018-12-06

  The present invention relates to novel, improved processes for the preparation of sodium glucose co-transporter 2 (SGLT-2) inhibitors and novel intermediates thereof. More particularly, the present invention relates to a novel, improved process for the preparation of gliflozin compounds such as empagliflozin and dapagliflozin, intermediates thereof. The product obtained from the processes of present invention may be amorphous or crystalline, or in the form of amorphous/crystalline solid dispersions/solutions with pharmaceutically acceptable polymers and preparation process thereof. Also, the products obtained from the present invention may be used for the preparation of medicaments for the prevention and/or treatment of diseases and conditions associated with SGLT-2 inhibition.

  本发明涉及一种新颖的、改进的制备葡萄糖钠共转运蛋白2（SGLT-2）抑制剂及其新颖中间体的方法。更具体地说，本发明涉及一种新颖的、改进的用于制备格列列醇类化合物如恩帕格列醇和达帕格列醇及其中间体的方法。本发明的方法得到的产品可能是非晶态或结晶态，或者以非晶态/结晶态固体分散体/溶液的形式与药用可接受聚合物一起制备。此外，本发明得到的产品可用于制备用于预防和/或治疗与SGLT-2抑制相关的疾病和症状的药物。
• Diphenylmethyl picolinic acid derivatives and their use as anti-acne
  申请人：Schering Corporation

  公开号：US04138488A1

  公开（公告）日：1979-02-06

  Disclosed herein are substituted diphenylmethyl picolinic acids, pharmaceutically acceptable salts, amides and esters thereof. The compounds disclosed are useful as topical anti-acne agents.

  本文披露了替代二苯甲基吡啶甲酸、药用可接受的盐、酰胺和酯。所披露的化合物可用作局部抗痤疮剂。