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(R)-二-2-萘基脯氨醇 | 130798-48-0

中文名称
(R)-二-2-萘基脯氨醇
中文别名
——
英文名称
(R)-(+)-α,α-di-(2-naphthyl)-2-pyrrolidinemethanol
英文别名
(R)-(+)-2-(di-β-naphthylhydroxymethyl)pyrrolidine;(R)-di-2-naphthylprolinol;(R)-1,1-dinaphtyl-2-pyrrolidinemethynol;dinaphthalen-2-yl-[(2R)-pyrrolidin-2-yl]methanol
(R)-二-2-萘基脯氨醇化学式
CAS
130798-48-0
化学式
C25H23NO
mdl
——
分子量
353.464
InChiKey
LNUDNNFEXRHHGY-XMMPIXPASA-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:
    135-138 °C(lit.)
  • 沸点:
    486.87°C (rough estimate)
  • 密度:
    1.1008 (rough estimate)
  • 稳定性/保质期:
    遵照规定使用和储存,则不会发生分解。

计算性质

  • 辛醇/水分配系数(LogP):
    5.2
  • 重原子数:
    27
  • 可旋转键数:
    3
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.2
  • 拓扑面积:
    32.3
  • 氢给体数:
    2
  • 氢受体数:
    2

安全信息

  • 危险品标志:
    Xi
  • 安全说明:
    S26,S36,S37,S39
  • 危险类别码:
    R36/37/38
  • WGK Germany:
    3
  • 海关编码:
    2933990090

SDS

SDS:0d7c69d6c855f6eb26ba74d0ca88292f
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Name: (R)-Di-2-naphthylprolinol 99% Material Safety Data Sheet
Synonym: None Known
CAS: 130798-48-0
Section 1 - Chemical Product MSDS Name:(R)-Di-2-naphthylprolinol 99% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
130798-48-0 (R)-Di-2-naphthylprolinol 99% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 130798-48-0: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 137 - 138 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: C25H23NO
Molecular Weight: 353.1671

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 130798-48-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(R)-Di-2-naphthylprolinol - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 130798-48-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 130798-48-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 130798-48-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A


反应信息

  • 作为反应物:
    描述:
    (R)-二-2-萘基脯氨醇丁氧基硼酸 生成 (3aR)-1-butyl-3,3-dinaphthalen-2-yl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole
    参考文献:
    名称:
    COREY, E. J.;LINK, JOHN O., J. ORG. CHEM., 56,(1991) N, C. 442-444
    摘要:
    DOI:
  • 作为产物:
    描述:
    D-脯氨酸palladium dihydroxide甲烷 sodium hydroxide四丁基氢氧化铵氢气magnesium溶剂黄146乙酰氯 、 potassium iodide 作用下, 以 甲醇 为溶剂, 23.0~65.0 ℃ 、101.33 kPa 条件下, 反应 68.5h, 生成 (R)-二-2-萘基脯氨醇
    参考文献:
    名称:
    A catalytic enantioselective synthesis of denopamine, a useful drug for congestive heart failure
    摘要:
    DOI:
    10.1021/jo00001a084
  • 作为试剂:
    描述:
    2-甲基-1,3-环戊二酮β-硝基苯乙烯丙烯醛(R)-二-2-萘基脯氨醇溶剂黄146 作用下, 以 乙腈 为溶剂, 反应 96.0h, 以85%的产率得到
    参考文献:
    名称:
    有机催化对映选择性Michael–Michael–Henry反应级联。具有五到六个连续的立体中心和两个季碳的高度功能化的Hajos-Parrish型酮的入口
    摘要:
    开发了2-甲基环戊烷-1,3-二酮,硝基烯烃和α,β-不饱和醛与二苯基脯氨醇催化剂的有机催化对映选择性反应,得到高度官能化的Hajos-Parrish型酮,其具有5至6个连续的立体中心和2个四级碳立体异构中心具有高非对映选择性和对映选择性。加合物的结构通过适当产物的单晶X射线晶体学分析明确确定。
    DOI:
    10.1021/acs.orglett.6b00459
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文献信息

  • 중간체로서 광학 활성 3-아미노-1-프로판올 유도체의 제조방법 및 상기 중간체를 이용한 (S)-둘록세틴의 제조방법
    申请人:KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY 한국화학연구원(319980077651)
    公开号:KR20150043955A
    公开(公告)日:2015-04-23
    본 발명에 따른 높은 광학 활성을 가지는 3-아미노-1-프로판올 유도체의 제조방법 및 이를 이용한 거울상 이성질체적으로 순수한 둘록세틴의 제조방법은 광학 활성을 가지는 3-아미노-1-프로판올 유도체를 종래의 어떤 방법보다도 더 높은 수율과 광학적 순도(ee)로 수득할 수 있으며, 이를 중간체로 이용함으로써 거울상 이성질체적으로 순수하며 높은 광학적 순도(ee)로 둘록세틴을 제조할 수 있다.
    根据本发明,具有高光学活性的3-氨基-1-丙醇衍生物的制备方法以及利用该方法制备高光学纯度的镜像立体异构体的方法,通过利用具有高光学活性的3-氨基-1-丙醇衍生物,可以比传统方法获得更高的产率和光学纯度(ee),并且可以利用其作为中间体制备出具有镜像立体异构体纯度和高光学纯度(ee)的二乙酰胺。
  • METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF
    申请人:——
    公开号:US20020010339A1
    公开(公告)日:2002-01-24
    The present invention relates to a method for synthesis of an optically active halopyridyl-azacyclo-pentane derivative and the intermediate thereof which comprises preparing an optically active allene-1,3-dicarboxylic acid ester derivative from an optically active acetonedicarboxylic acid ester derivative and then proceeding through a 7-azabicyclo[2.2.1]heptane derivative to obtain the objective product.
    本发明涉及一种合成光学活性卤代吡啶-氮杂环戊烷衍生物及其中间体的方法,包括从光学活性丙酮二羧酸酯衍生物制备光学活性联二烯-1,3-二羧酸酯衍生物,然后通过7-氮杂双环[2.2.1]庚烷衍生物进行反应,以获得目标产物。
  • COREY, E. J.;LINK, JOHN O., J. ORG. CHEM., 56,(1991) N, C. 442-444
    作者:COREY, E. J.、LINK, JOHN O.
    DOI:——
    日期:——
  • US6384228B2
    申请人:——
    公开号:US6384228B2
    公开(公告)日:2002-05-07
  • A catalytic enantioselective synthesis of denopamine, a useful drug for congestive heart failure
    作者:E. J. Corey、John O. Link
    DOI:10.1021/jo00001a084
    日期:1991.1
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