trimethyl 4-phosphonocrotonate - CAS号 86120-40-3

物化性质

沸点：

123-124 °C (1 mmHg)
闪点：

123-124°C/1mm
稳定性/保质期：

按规定使用和贮存的不会分解，避免与氧化物接触。

计算性质

辛醇/水分配系数(LogP)：

-0.4
重原子数：

13
可旋转键数：

6
环数：

0.0
sp3杂化的碳原子比例：

0.57
拓扑面积：

61.8
氢给体数：

0
氢受体数：

5

安全信息

危险品标志：

Xi
危险类别码：

R36/37/38
海关编码：

2931900090
安全说明：

S26,S37,S39

SDS

SDS：d2406a40688dcd785664fa1673211789

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Name:	Trimethyl 4-Phosphonocrotonate Material Safety Data Sheet
Synonym:	None Known
CAS:	86120-40-3

Section 1 - Chemical Product MSDS Name:Trimethyl 4-Phosphonocrotonate Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
86120-40-3	Trimethyl 4-Phosphonocrotonate	ca. 100	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.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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. Do NOT use mouth-to-mouth resuscitation.
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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
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 tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 86120-40-3: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 123 - 124 deg C @ 1.00mmHg
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: C7H13O5P
Molecular Weight: 208.0618

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 86120-40-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Trimethyl 4-Phosphonocrotonate - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 86120-40-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 86120-40-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 86120-40-3 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：

肉豆蔻醛、 trimethyl 4-phosphonocrotonate 在正丁基锂、正己烷、二异丙胺作用下，以四氢呋喃为溶剂，以60%的产率得到(2E,4E)-methyl heptadeca-2,4-dienoate

参考文献：

名称：

通过 N-亚磺酰基亲二烯体的 Diels-Alder 反应非对映选择性合成不饱和邻氨基醇

摘要：

合成这些非对映选择性 de 衍生 d'α-羟基胺 β,γ-insaturees a partir d'un oxyde-1 de dihydro-3,6 thiazine-1,2

DOI：

10.1021/ja00337a036

点击查看最新优质反应信息

文献信息

Total Synthesis of (−)-Lasonolide A

作者：Barry M. Trost、Craig E. Stivala、Daniel R. Fandrick、Kami L. Hull、Audris Huang、Caroline Poock、Rainer Kalkofen

DOI：10.1021/jacs.6b05127

日期：2016.9.14

utilizing a Ru-catalyzed alkene-alkyne coupling. This type of coupling typically generates branched products; however, through a detailed investigation, we are now able to demonstrate that subtle structural changes to the substrates can alter the selectivity to favor the formation of the linear product. The synthesis of the fragments features a number of atom-economical transformations which are highlighted

拉索内酯是新型聚酮化合物，在体外针对多种癌细胞系表现出显着的生物活性。在此，我们描述了正式合成拉索内酯 A 的第一代方法。这些研究的关键发现最终使我们能够继续完成拉索内酯 A 的全合成。收敛方法利用 Ru 催化将两个高度复杂的片段结合在一起。烯烃-炔烃偶联。这种类型的偶联通常会产生支化产物；然而，通过详细的研究，我们现在能够证明底物的细微结构变化可以改变选择性以有利于线性产物的形成。这些片段的合成具有许多原子经济转化的特点，其中突出的是发现了一种工程酶，可以对 β-酮酯进行动态动力学还原，从而建立具有高水平对映选择性的南四氢吡喃环的绝对立体化学。
Regioselective synthesis of 3-aryl-5-(1H-indole-3-carbonyl)-4-hydroxyfuroic acids as potential insulin receptor activators

作者：Shan-Yen Chou、Shieh-Shung Tom Chen、Ching-Hui Chen、Lien-Shange Chang

DOI：10.1016/j.tetlet.2006.08.076

日期：2006.10

5-dicarboxylic acid (8) is selectively converted into its C-5 methylester (6) by treatment with methyl chloroformate followed by decarboxylation in one flask. Acylation of the resulting half ester with a 7-substituted indole was performed under mild conditions to afford 3-aryl-5-(1H-indole-3-carbonyl)-4-methoxy-2-furoic acid (11). The synthetic utility of the resulting furoic acids as a skeleton in

通过用氯甲酸甲酯处理然后在一个烧瓶中脱羧，将3-甲氧基-4-芳基-呋喃-2,5-二羧酸（8）选择性地转化为其C-5甲酯（6）。在温和的条件下用7-取代的吲哚酰化所得的半酯，得到3-芳基-5-（1H-吲哚-3-羰基）-4-甲氧基-2-糠酸（11）。建立了所得糠酸作为潜在胰岛素受体激活剂合成中的骨架的合成效用。
Stereocontrolled Synthesis of the C21–C38 Fragment of the Unnatural Enantiomer of the Antibiotic Nystatin A1

作者：Thilo Berkenbusch、Reinhard Brückner

DOI：10.1002/chem.200305540

日期：2004.3.19

The C(21)-C(38) fragment all-trans-41 of the unnatural enantiomer 1 of nystatin A(1) was prepared starting from the N-propionyl oxazolidinone 9. Aldol adduct ent-8 (ee > 96 %) derived in two steps was hydroborated with (thexyl)BH(2). Oxidative work-up and treatment with acid furnished delta-lactone 4. It contains the complete stereotetrade of the target molecule. The alpha,beta-unsaturated ester 28

制霉菌素A（1）的非天然对映异构体1的C（21）-C（38）片段全反式41是从N-丙酰恶唑烷酮9制备的。衍生的醛醇加合物ent-8（ee> 96％）分两步用（thexyl）BH（2）硼氢化。氧化后处理，并用酸提供的δ-内酯4进行处理。它包含目标分子的完整立体四聚体。在另外四个步骤之后获得了α，β-不饱和酯28。它应该是多种多元醇，多烯大环内酯的多烯部分的前体。说明从28和DIBAL获得的α，β-不饱和醛29在四个步骤中扩展了10个C原子，得到C（21）-C（38）段41。后一组转化包括区域选择性和立体选择性克莱森重新排列32-> 35。
Biaryl cannabinoid mimetics—Synthesis and structure–activity relationship

作者：Karin Worm、Q. Jean Zhou、Gabriel J. Stabley、Robert N. DeHaven、Roland E. Dolle

DOI：10.1016/j.bmcl.2007.04.059

日期：2007.7

Synthesis, in vitro biological evaluation, and structure-activity relationships of a biaryl cannabinoid mimetic 2 are reported. Variations in the substitution pattern yielded a number of agonists with low nanomolar affinity. Replacing the phenol group by a methyl morpholino acetate group led to compound 28, a 500-fold selective CB, receptor agonist. (c) 2007 Elsevier Ltd. All rights reserved.
Stereospecific synthesis of acyclic unsaturated amino alcohols. A new approach to threo and erythro sphingosine

作者：Ravi S. Garigipati、Steven M. Weinreb

DOI：10.1021/ja00351a074

日期：1983.6

trimethyl 4-phosphonocrotonate | 86120-40-3

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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