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DL-4-氟苯甘氨酸 | 7292-73-1

中文名称
DL-4-氟苯甘氨酸
中文别名
4-氟-DL-alpha-苯甘氨酸;4-氟-α-苯基甘氨酸;对氟苯甘氨酸;4-氟-DL-苯-甘氨酸;混旋对氟苯甘氨酸;4-氟-DL-苯甘氨酸;α-氨基-4-氟苯乙酸
英文名称
(2RS)-N-(p-fluorophenyl)glycine
英文别名
2-amino-2-(4-fluorophenyl)acetic acid;2-Azaniumyl-2-(4-fluorophenyl)acetate;2-azaniumyl-2-(4-fluorophenyl)acetate
DL-4-氟苯甘氨酸化学式
CAS
7292-73-1
化学式
C8H8FNO2
mdl
——
分子量
169.155
InChiKey
JKFYKCYQEWQPTM-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    ≥300 °C(lit.)
  • 沸点:
    289.9±30.0 °C(Predicted)
  • 密度:
    1.347±0.06 g/cm3(Predicted)
  • 稳定性/保质期:
    如果遵照规格使用和储存,则不会分解。

计算性质

  • 辛醇/水分配系数(LogP):
    -1.6
  • 重原子数:
    12
  • 可旋转键数:
    2
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.12
  • 拓扑面积:
    63.3
  • 氢给体数:
    2
  • 氢受体数:
    4

安全信息

  • 危险等级:
    IRRITANT
  • 危险品标志:
    Xi
  • 安全说明:
    S24/25
  • 危险类别码:
    R36/37/38
  • WGK Germany:
    3
  • 海关编码:
    2922499990
  • 危险性防范说明:
    P264,P270,P301+P312,P330
  • 危险性描述:
    H302,H315,H320,H335
  • 储存条件:
    密封保存在阴凉干燥处。

SDS

SDS:717344d222f4da895d7fd9d9069912a2
查看
Name: 4-Fluoro-DL-alpha-phenylglycine Material Safety Data Sheet
Synonym:
CAS: 7292-73-1
Section 1 - Chemical Product MSDS Name:4-Fluoro-DL-alpha-phenylglycine Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
7292-73-1 4-Fluoro-DL-alpha-phenylglycine 230-724-4
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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.

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.

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.

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.

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.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7292-73-1: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 300 deg C
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: C8H8FNO2
Molecular Weight: 169.15

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7292-73-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Fluoro-DL-alpha-phenylglycine - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


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

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 7292-73-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7292-73-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7292-73-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途:用于制造医药中间体。

上下游信息

反应信息

  • 作为反应物:
    参考文献:
    名称:
    发现增强大鼠胎儿神经干细胞中星形胶质细胞分化的小分子
    摘要:
    发现1,3,4-Oxadiazole衍生物可增强大鼠胎儿神经干细胞(NSCs)中的星形胶质细胞分化。通过免疫细胞化学评估分化活性,并分析星形胶质细胞标志物,GFAP和S100的mRNA表达。化合物7和8显示星形胶质细胞分化增加了大约两倍,而没有神经元分化的参与和可检测的细胞毒性。
    DOI:
    10.1016/j.bmcl.2011.09.099
  • 作为产物:
    描述:
    对氟苯基草酸 在 C26H34ClIrN4O 、 甲酸铵 作用下, 以 甲醇 为溶剂, 反应 0.5h, 以94%的产率得到DL-4-氟苯甘氨酸
    参考文献:
    名称:
    带有吡啶啉配体的Cp * Ir(III)配合物催化的酮化合物的还原胺化
    摘要:
    带有2-吡啶甲酸酰胺部分的Cp * Ir配合物可作为有效的催化剂,用于在酮的转移氢化条件下,使用甲酸铵作为氮源和氢源,对酮类化合物进行直接还原胺化,从而生成伯胺。清洁且操作简单的转化过程是在相对较低的温度下以高达20,000的底物与催化剂的摩尔比(S / C)进行的,并且对伯胺表现出出色的化学选择性。
    DOI:
    10.1021/acs.joc.9b01565
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文献信息

  • [EN] METALLOENZYME INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE MÉTALLOENZYMES
    申请人:VPS 3 INC
    公开号:WO2018165520A1
    公开(公告)日:2018-09-13
    Provided are compounds having HDAC6 modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by HDAC6.
    提供具有HDAC6调节活性的化合物,以及通过HDAC6介导的治疗疾病、疾病或症状的方法。
  • Inhibitors of cathepsin S
    申请人:IRM LLC
    公开号:US20040198780A1
    公开(公告)日:2004-10-07
    The present invention provides compounds, compositions and methods for the selective inhibition of cathepsin S. In a preferred aspect, cathepsin S is selectively inhibited in the presence of at least one other cathepsin isozyme (e.g., cathespin K). The present invention also provides methods for treating a disease state in a subject by selectively inhibiting cathepsin S.
    本发明提供了用于选择性抑制蛋白酶S的化合物、组合物和方法。在一个优选方面,当至少存在另一种蛋白酶同工酶(例如,蛋白酶K)时,选择性地抑制蛋白酶S。本发明还提供了通过选择性抑制蛋白酶S来治疗受试者疾病状态的方法。
  • [EN] IMIDAZO [1, 2 - B] PYRIDAZINE - BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF<br/>[FR] COMPOSÉS À BASE D'IMIDAZO [1, 2-B] PYRIDAZINE, COMPOSITIONS LES COMPRENANT ET UTILISATIONS DE CEUX-CI
    申请人:LEXICON PHARMACEUTICALS INC
    公开号:WO2013134219A1
    公开(公告)日:2013-09-12
    Imidazo[1,2-b]pyridazine-based compounds of the formula (I): are disclosed, wherein R1, R2 and R3 are defined herein. Compositions comprising the compounds and methods of their use to treat, manage and/or prevent diseases and disorders mediated by mediated by adaptor associated kinase 1 activity are also disclosed.
    基于咪唑并[1,2-b]吡啶嗪的化合物的公式(I)被披露,其中R1、R2和R3在此处被定义。还披露了包含这些化合物的组合物以及它们用于治疗、管理和/或预防由适配器相关激酶1活性介导的疾病和紊乱的方法。
  • Hepatitis C Virus Inhibitors
    申请人:Belema Makonen
    公开号:US20100080772A1
    公开(公告)日:2010-04-01
    The present disclosure relates to compounds, compositions and methods for the treatment of hepatitis C virus (HCV) infection. Also disclosed are pharmaceutical compositions containing such compounds and methods for using these compounds in the treatment of HCV infection.
    本公开涉及化合物、组合物和治疗丙型肝炎病毒(HCV)感染的方法。还公开了含有这些化合物的药物组合物以及使用这些化合物治疗HCV感染的方法。
  • [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C
    申请人:BRISTOL MYERS SQUIBB CO
    公开号:WO2011059850A1
    公开(公告)日:2011-05-19
    The present disclosure relates to methods for making compounds useful in the treatment of Hepatitis C virus (HCV) infection.
    本公开涉及制备用于治疗丙型肝炎病毒(HCV)感染的化合物的方法。
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