1-BOC-4-(3-羧基苯基)哌啶 CAS 828243-30-7_结构式_MSDS

基本信息

结构式：

1-BOC-4-(3-羧基苯基)哌啶MOL文件

CAS号：

828243-30-7

中文名称：

1-BOC-4-(3-羧基苯基)哌啶

英文名称：

3-(1-tert-butoxycarbonyl-4-piperidyl)benzoic acid

分子式：

C₁₇H₂₃NO₄

分子量：

305.36882519722

名称与标识

名称

中文别名：

1-Boc-4-(3-羧基-苯基)-哌啶;1-BOC-4-(3-羧基苯基)哌啶;

英文别名：

3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoic acid;1-BOC-4-(3-CARBOXY-PHENYL)-PIPERIDINE;1-Piperidinecarboxylic acid, 4-(3-carboxyphenyl)-, 1-(1,1-dimethylethyl)ester;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid;4-(3-carboxyphenyl)-1-Piperidinecarboxylic acid 1-(1,1-dimethylethyl)ester;3-(1-tert-butoxycarbonyl-4-piperidyl)benzoic acid;1-(1,1-Dimethylethyl) 4-(3-carboxyphenyl)-1-piperidinecarboxylate (ACI);3-[1-[[(1,1-Dimethylethyl)oxy]carbonyl]-4-piperidinyl]benzoic acid;1-Boc-4-(3-carboxy-phenyl)piperidine;DB-012000;EN300-6491428;3-(1-{[(1,1-dimethylethyl)oxy]carbonyl}-4-piperidinyl)benzoic acid;GS-3795;3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoic acid, AldrichCPR;3-[1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL]BENZOIC ACID;SCHEMBL226123;4-(3-CARBOXY-PHENYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-Boc-4-(3-Carboxyphenyl)Piperidine;PB19969;DTXSID30662837;MFCD02178898;PDPYHAXCPUSEMT-UHFFFAOYSA-N;3-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}benzoic acid;AKOS015998702;CS-0054810;828243-30-7;4-(3-carboxyphenyl)piperidine-1-carboxylic acid tert-butyl ester;3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoicacid;

标识符

MDL：

MFCD02178898

InChIKey：

PDPYHAXCPUSEMT-UHFFFAOYSA-N

Inchi：

1S/C17H23NO4/c1-17(2,3)22-16(21)18-9-7-12(8-10-18)13-5-4-6-14(11-13)15(19)20/h4-6,11-12H,7-10H2,1-3H3,(H,19,20)

SMILES：

O=C(C1C=C(C2CCN(C(OC(C)(C)C)=O)CC2)C=CC=1)O

物化性质

实验特性

LogP : 3.43720
PSA : 66.84000
沸点 : No data available
熔点 : No data available
蒸气压 : No data available
闪点 : No data available
颜色与性状 : Pale-yellow to Yellow-brown Solid
密度 : No data available

计算特性

精确分子量 : 305.16300
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 5
同位素质量 : 305.163
重原子数量 : 22
复杂度 : 407
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.9
拓扑分子极性表面积 : 66.8A^2

安全信息

安全说明： H303+H313+H333
危险品运输编号： NONH for all modes of transport
危害声明：H315-H319-H335
警示性声明：P261;P305+P351+P338
储存条件： Sealed in dry,2-8°C
信号词： Warning

海关数据

海关编码：

2933399090

海关数据：

中国海关编码：

2933399090

概述：

2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-BOC-4-(3-羧基苯基)哌啶(828243-30-7)推荐厂家更多厂家(19)

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铼博（上海）生化科技有限公司	13311756052 021-60536361 13311756052 13311756131	张经理	2851717387	询单

合成路线

合成路线：1 步

301673-14-3

585-76-2

_90%

828243-30-7

反应条件：

1.1 Reagents: Zinc Catalysts: Cuprous iodide , [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethylacetamide ; 85 °C

参考文献：

Design and synthesis of a new class of malonyl-CoA decarboxylase inhibitors with anti-obesity and anti-diabetic activities

Tang, Haifeng; et al, Bioorganic & Medicinal Chemistry Letters, 2010, 20(20), 6088-6092

上下游

N-Boc-4-碘哌啶间溴苯甲酸

1-BOC-4-(3-羧基苯基)哌啶(828243-30-7) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 1-Boc-4-(3-carboxy-phenyl)-piperidine
Synonyms:

Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: 1-Boc-4-(3-carboxy-phenyl)-piperidine
CAS number: 828243-30-7

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator
    Hand precaution:        Wear suitable gloves/gauntlets
    Skin protection:        Wear suitable protective clothing
    Eye protection:        Wear suitable eye protection
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels, refrigerated.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed
    Boiling point:        No data
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C17H23NO4
    Molecular weight:        305.4

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

828243-30-7 (1-BOC-4-(3-羧基苯基)哌啶,3-(1-tert-butoxycarbonyl-4-piperidyl)benzoic acid)