2,2-二甲基香豆素-6-甲醛 | 61370-75-0

• 物质功能分类: 化学试剂 - 有机试剂 - 芳香醛(含缩醛,半缩醛)
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 2,2-二甲基香豆素-6-甲醛
• 中文别名: 3,4-二氢-2,2-二甲基-2H-1-苯并吡喃-6-甲醛；2,2-二甲基色烷-6-甲醛
• 英文名称: 2,2-dimethylchroman-6-carbaldehyde
• 英文别名: 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-carboxaldehyde；2,2-dimethylchromane-6-carbaldehyde；2,2-dimethyl-3,4-dihydrochromene-6-carbaldehyde
• CAS: 61370-75-0
• 化学式: C₁₂H₁₄O₂
• mdl: MFCD00052286
• 分子量: 190.242
• InChiKey: IDUKOSGEQABOGY-UHFFFAOYSA-N

物化性质

• 熔点：
  97-98℃
• 沸点：
  110-114°C 2mm
• 密度：
  1.072±0.06 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2932999099
• 储存条件：
  室温

SDS

Name:	2 2-Dimethylchromane-6-carbaldehyde tech Material Safety Data Sheet
Synonym:	2,2-Dimethylchroman-6-carboxaldehyd
CAS:	61370-75-0

Section 1 - Chemical Product MSDS Name:2 2-Dimethylchromane-6-carbaldehyde tech Material Safety Data Sheet
Synonym:2,2-Dimethylchroman-6-carboxaldehyd

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
61370-75-0	2,2-Dimethylchromane-6-carbaldehyde		unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
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:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 61370-75-0: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: pale yellow - colorless
Odor: No data
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 110 - 114 deg C @2mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H14O2
Molecular Weight: 190

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 61370-75-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2-Dimethylchromane-6-carbaldehyde - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 61370-75-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 61370-75-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 61370-75-0 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：

  2,2-二甲基香豆素-6-甲醛 在 sodium tetrahydroborate 作用下， 以 异丙醇 为溶剂， 以78.6%的产率得到(2,2-二甲基-3,4-二氢色烯-6-基)甲醇
  参考文献：
  名称：

  设计，合成和测试潜在的抗渗胶剂。10.（2，2-二甲基苯并吡喃-6-基）链烷酸。

  摘要：

  合成了五种（2,2-二甲基苯并吡喃-6-基）链烷酸，并测试了其抗胶凝活性。可以预见，这些试剂可以通过疏水键结合到血红蛋白S的“供体-受体”区域的非极性位点上。一些（2，2-二甲基苯并吡喃-6-基）链烷酸在侧链上具有1-4个碳原子。链残基被设计成在受体位点相互作用，被合成，并且被发现是中等有效的抗胶凝剂。根据弱结合亲和力或对活性和非活性位点的多重结合，可以合理地观察到两种酸在低浓度下的弱活性。这些化合物对改变变构平衡的影响很小或可忽略不计。（2，

  DOI：

  10.1021/jm00394a007
• 作为产物：
  描述：

  6-溴苯并二氢吡喃-2-酮 在 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 33.17h， 生成 2,2-二甲基香豆素-6-甲醛
  参考文献：
  名称：

  [EN] CHROMANE-SUBSTITUED TETRACYCLIC COMPOUNDS AND USES THEREOF FOR TREATMENT OF VIRAL DISEASES
  [FR] COMPOSÉS TÉTRACYCLIQUES SUBSTITUÉS PAR CHROMANE ET LEURS UTILISATIONS DANS LE TRAITEMENT DE MALADIES VIRALES

  摘要：

  揭示了一种新的Formula (I)的含有色甘醇取代基的四环化合物，以及其药用盐，其中A、A'、R2、R3、R4和R5如描述中所定义。还揭示了包含色甘醇取代基四环化合物的组合物，以及使用这些色甘醇取代基四环化合物来治疗或预防患者HCV感染的方法。

  公开号：

  WO2018032467A1

文献信息

• [EN] 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS<br/>[FR] DERIVES DE PIPERIDINE 1,4 DISUBSTITUEE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE 11-BETAHSD1
  申请人：ASTRAZENECA AB

  公开号：WO2004033427A1

  公开（公告）日：2004-04-22

  The use of a compound of formula (I) in the manufacture of a medicament for use in the inhibition of 11βHSD1 is described.

  使用式(I)的化合物制造用于抑制11βHSD1的药物。
• [EN] PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA<br/>[FR] DÉRIVÉS DE PHÉNYL-HÉTÉROCYCLE-PHÉNYLE DESTINÉS À UNE UTILISATION DANS LE TRAITEMENT OU LA PRÉVENTION D'UN MÉLANOME
  申请人：MAX PLANCK GESELLSCHAFT

  公开号：WO2018206778A1

  公开（公告）日：2018-11-15

  The present invention relates to a compound represented by the formula (E) which is useful for treating or preventing melanoma.

  本发明涉及一种化合物，其化学式表示为（E），用于治疗或预防黑色素瘤。
• SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A)
  申请人：Allergan, Inc.

  公开号：US20150158895A1

  公开（公告）日：2015-06-11

  The invention relates to compounds of the formula or a pharmaceutically acceptable salt thereof, wherein R′, R 1 through R 7 and Ar are as defined herein. These compounds are useful as inhibitors of phosphodiesterase 10 (PDE10A) which are useful in treating central nervous system diseases such as psychosis and also in treating, for example, obesity, type II diabetes, metabolic syndrome, glucose intolerance, pain and ophthalmic diseases.

  本发明涉及具有以下公式的化合物，或其药用可接受盐，其中R'，R1至R7和Ar如本文所述定义。这些化合物作为磷酸二酯酶10（PDE10A）的抑制剂，可用于治疗中枢神经系统疾病，如精神疾病，也可用于治疗例如肥胖、II型糖尿病、代谢综合征、葡萄糖不耐症、疼痛和眼科疾病。
• [EN] 2-AMINOQUINOLINES AS MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS<br/>[FR] 2-AMINOQUINOLINES SERVANT D'ANTAGONISTES DE RECEPTEUR DE L'HORMONE DE CONCENTRATION DE MELANINE
  申请人：ABBOTT LAB

  公开号：WO2003105850A1

  公开（公告）日：2003-12-24

  The present invention is related to compounds of formula (I), or a therapeutically suitable salt or prodrug thereof, which antagonize the effects of melanin-concentrating hormone (MCH) through the melanin concentrating hormone receptor and are useful for the prevention or treatment of eating disorders, weight gain and obesity.

  本发明涉及公式(I)的化合物，或其治疗上适用的盐或前药，这些化合物通过黑素浓集激素受体拮抗黑素浓集激素（MCH）的效果，并且用于预防或治疗进食障碍、体重增加和肥胖。
• [EN] BCL-2 INHIBITOR<br/>[FR] INHIBITEUR DE BCL -2
  申请人：BEIGENE LTD

  公开号：WO2021208963A1

  公开（公告）日：2021-10-21

  Disclosed herein is a compound of Formula (I) for inhibiting both Bcl-2 wild type and mutated Bcl-2, in particular, Bcl-2 G101V and D103Y, and a method of using the compound disclosed herein for treating dysregulated apoptotic diseases.

  本文披露了一种用于抑制Bcl-2野生型和突变型Bcl-2（特别是Bcl-2 G101V和D103Y）的化合物（I）以及使用本文披露的该化合物治疗失调的凋亡性疾病的方法。