2,4,6-三叔丁基嘧啶 - CAS号 67490-21-5

物化性质

熔点：

77-80 °C (lit.)
沸点：

292.2±9.0 °C(Predicted)
密度：

0.900±0.06 g/cm3(Predicted)
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)：

5.3
重原子数：

18
可旋转键数：

3
环数：

1.0
sp3杂化的碳原子比例：

0.75
拓扑面积：

25.8
氢给体数：

0
氢受体数：

2

安全信息

危险品标志：

Xi
海关编码：

2933599090
WGK Germany：

3
危险标志：

GHS07
危险性描述：

H315,H319,H335
危险性防范说明：

P261,P305 + P351 + P338
储存条件：

保持贮藏器密封，并将其放入一个紧密封装的容器中。应存放在阴凉、干燥的地方。

SDS

SDS：688374768fbf3045a08c4aa4092054e8

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2,4,6-Tri-tert-butylpyrimidine
CAS-No. : 67490-21-5
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
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
Safety data sheet available on request.
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36 Wear suitable protective clothing.
Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C16H28N2
Molecular Weight : 248,41 g/mol
Component Concentration
2,4,6-Tri-tert-butyl pyrimidine
CAS-No. 67490-21-5 -

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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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

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.
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.

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.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: powder
Colour: white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 77 - 80 °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) Autoignition 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

Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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
no data available
Other adverse effects
no data available

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.

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

Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

上下游信息

上游原料

中文名称英文名称 CAS号化学式分子量

—— 2,4-di-t-butylpyrimidin-6-ol 69050-79-9 C₁₂H₂₀N₂O 208.304

—— 2,4-di-tert-butyl-6-chloropyrimidine 69050-89-1 C₁₂H₁₉ClN₂ 226.749

中文名称	英文名称	CAS号	化学式	分子量
——	2,4-di-t-butylpyrimidin-6-ol	69050-79-9	C₁₂H₂₀N₂O	208.304
——	2,4-di-tert-butyl-6-chloropyrimidine	69050-89-1	C₁₂H₁₉ClN₂	226.749

反应信息

作为反应物：

描述：

、 2,4,6-三叔丁基嘧啶、 potassium 1,1,1,3,3,3-hexamethyldisilazane 、 4-甲苯磺酸酐、 4-甲苯磺酸离子、 D-葡萄烯糖在 THF-d8 、 Acetone cardice 、 1H 、 13C 作用下，反应 3.08h，生成 p-toluenesulfonyl 3,4,6-tri-O-benzyl-2-deoxy-α-D-glucopyranoside

参考文献：

名称：

Reagent controlled stereoselective glycosylation

摘要：

提供了一种高效的立体选择性糖苷键形成方法，无需使用假体或定向基团。

公开号：

US09403862B2
作为产物：

描述：

2,4-di-tert-butyl-6-chloropyrimidine 在氢碘酸、 copper(l) cyanide 作用下，反应 0.25h，生成 2,4,6-三叔丁基嘧啶

参考文献：

名称：

The Synthesis of 4(6)-t-Butylpyrimidines From 4(6)-Halopyrimidines by Using Higher-Order Lithium and Magnesium Organocuprate Reagents

摘要：

用 t-丁基锂和 t-丁基氯化镁氰基杯酸盐从相应的 4(6)-卤代嘧啶制备 4(6)-t-丁基嘧啶。用这种方法制备了高度受阻的 2,4,5-三丁基-6-氯嘧啶，其中含有正交二叔丁基排列。没有观察到烷基异构化现象，但发现了一些底物还原现象。

DOI：

10.1071/ch9900733
作为试剂：

描述：

5-甲基水杨酸在吡啶、 bis-triphenylphosphine-palladium(II) chloride 、 N-碘代丁二酰亚胺、 copper(l) iodide 、 lithium aluminium tetrahydride 、氯化亚砜、 [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]gold bis(trifluoromethanesulfonyl)imidate 、 sodium hydride 、 silver nitrate 、三乙胺、 2,4,6-三叔丁基嘧啶作用下，以四氢呋喃、乙醚、二氯甲烷、 1,2-二氯乙烷、 N,N-二甲基甲酰胺、丙酮为溶剂，反应 172.0h，生成 3-iodo-1-methoxy-6-methyl-1H-indene

参考文献：

名称：

分子内Ç ？通过碘代炔烃的金（I）催化反应进行H活化

摘要：

的1-环异构反应（iodoethynyl）-2-（1-甲氧基烷基）芳烃和相关的2-烷基取代的衍生物得到相应的3-碘-1-取代- 1 ħ IPrAuNTf的催化影响下茚2 [的IPr = 1,3-双（2,6-二异丙基）苯基咪唑-2-亚烷基; NTf 2＝双（三氟甲磺酰基）亚氨酸酯]。反应在80°C的1,2-二氯乙烷中进行，并添加ttbp（2,4,6-三叔丁基-丁基嘧啶）有利于高产率地完成这一新的转化。整个反应意味着在炔烃被金（I）活化和1,2-碘转移后，中间体金亚乙烯基的初始组装。氘标记和交叉实验，记录的动力学主要同位素效应的幅度以及从选定的立体化学探针反应获得的结果，有力地支持了苄基CH键协同插入亚乙烯基金中作为形成步骤新的碳-碳键。

DOI：

10.1002/anie.201409970

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文献信息

PREPARATION OF MONOSACCHARIDES, DISACCHARIDES, TRISACCHARIDES, AND PENTASACCHARIDES OF HEPARINOIDS

申请人：FORMOSA LABORATORIES, INC.

公开号：US20170015695A1

公开（公告）日：2017-01-19

The present invention provides preparations of monosaccharides, disaccharides, trisaccharides, and pentasaccharides of heparinoids. The present invention also provides novel monosaccharides, disaccharides, trisaccharides and pentasaccharides for use in the preparation of heparinoids.

本发明提供了肝素样单糖、二糖、三糖和五糖的制备方法。本发明还提供了用于制备肝素样化合物的新型单糖、二糖、三糖和五糖。
Glycosylation Reactions Using Phenyl(trifluoroethyl)iodonium Salts

申请人：Trustees of Tufts College

公开号：US20150099870A1

公开（公告）日：2015-04-09

Provided are methods for the preparation of glycosylation products, including those represented by formula I: Sugar-O—R′ I comprising the step of combining R′—OH, a glycosyl sulfide glycosyl donor (“thioglycoside donor”), a hypervalent iodine alkyl-transfer activating reagent, and a base. In an embodiment, the hypervalent iodine alkyl-transfer activating reagent is (phenyl(trifluoroethyl)iodonium triflimide).

提供了制备糖基化产物的方法，包括由式I表示的那些：糖-O—R′ I 包括将R′—OH、糖基硫醚糖基供体（“硫代糖苷供体”）、高价碘烷基转移活化试剂和碱结合的步骤。在一种实施例中，高价碘烷基转移活化试剂为（苯基(三氟乙基)碘三氟甲磺酰胺）。
2,4,6-Tri-tert-butylpyrimidine (TTBP): A Cost Effective, Readily Available Alternative to the Hindered Base 2,6-Di-tert-butylpyridine and its 4-Substituted Derivatives in Glycosylation and Other Reactions

作者：David Crich、Mark Smith、Qingjia Yao、John Picione

DOI：10.1055/s-2001-10798

日期：——

It is reported that 2,4,6-tri-tert-butylpyrimidine (TTBP), a highly sterically hindered base available through an efficient cost-effective one pot sequence, is a replacement for 2,6-di-tert-butylpyridine and its 4-substituted analogs in glycosylation reactions and in the formation of vinyl triflates.

据报道，2,4,6-三叔丁基嘧啶（TTBP），一种通过高效成本效益的一锅法步骤可获得的高度立体位阻碱，在糖基化反应和乙烯基三氟甲磺酸酯的形成中，可替代2,6-二叔丁基吡啶及其4-取代类似物。
Method of forming glycosidic bonds from thioglycosides using an N,N-dialkylsulfinamide

申请人：——

公开号：US20040019198A1

公开（公告）日：2004-01-29

A method of forming a glycosidic bond utilizing an activated thioglycoside is disclosed. The thioglycoside is activated by an N,N-dialkylsulfinamide and trifluoromethanesulfonic anhydride. The method allows the facile synthesis of disaccharides, oligosacchraides, and polysaccharides in solution or on a polymer support.

揭示了一种利用活化硫代糖苷键的方法。该硫代糖苷经N,N-二烷基亚磺酰胺和三氟甲磺酸酐激活。该方法允许在溶液中或在聚合物支撑上轻松合成二糖、寡糖和多糖。
Reagent-Controlled Stereoselective Glycosylation

申请人：Trustees of Tufts College

公开号：US20150038689A1

公开（公告）日：2015-02-05

Provided are methods for the efficient stereoselective formation of glycosidic bonds, without recourse to prosthetic or directing groups.

提供了一种高效立体选择性形成糖苷键的方法，无需使用假体或定向基团。

2,4,6-三叔丁基嘧啶 | 67490-21-5

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

上下游信息

反应信息

文献信息

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