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CAS: 6018-41-3
分子式: C7H6O4
分子量: 154.12
沸点: 178-180 °C60 mm Hg(lit.)
熔点: 65-67 °C(lit.)
英文名称: 
methyl coumalate
6-Oxo-6H-pyran-3-carboxylic acid methyl ester
Methyl 2-oxo-2H-pyran-5-carboxylate
2H-Pyran-5-carboxylic acid,2-oxo-,methyl ester
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货号品牌产品名称规格包装、参考价格详情
M812873MACKLIN香豆灵酸甲酯98%39元/1g;   110元/5g;   450元/25g;   1080元/100g;   展开
储存:2~8°C
状态:白色到棕色晶体
C1734TCIMethyl Coumalate>96.0%(GC)590元/5G;   1990元/25G;   展开

基本信息

纯度/分析方法>96.0%(GC)
分子式/分子量C7H6O4 = 154.12
外观与形状(20℃)固体
储存在惰性气体下存放于惰性气体之中
应避免的情况空气
Reaxys-RN126301
PubChem物质ID87561142
Merck Index (14)2557
MDL编号MFCD00010120

技术规格

AppearanceWhite to Orange to Green powder to crystal
Purity(GC)min. 96.0 %
Melting point67.0 to 73.0 ℃

物性(参考值)

熔点68 ℃
沸点260 ℃
B25330Alfa AesarMethyl Coumalate98%1244元/2g;   4593元/10g;   展开

应用
Methyl coumalate is a 2-pyrone and acts as dienophile in Diels-Alder reaction. It reacts with 1,3-butadienes at 100?°C to yield tetrahydrocoumarins and 4-methoxycarbonyltricyclo[3.2.1.02,7]octenes. It also reacts with cyclohexadiene to afford tetrahydronaphthalene-2-carboxylate. It undergoes Diels-Alder reaction with unactivated alkenes to afford para-substituted adducts. It has been used as reagent in phosphine-catalyzed [4+3] annulation of modified allylic carbonates. It was also used in the preparation of 7-carboxyquinolizinium derivatives.

备注
Stable under recommended storage conditions. Incompatible with oxidizing agents.

基本信息

MDL
MFCD00010120

EINECS
227-871-1

分子式
C7H6O4

分子量
154.12

熔点
68-72°

沸点
178-180°/60mm

灵敏度
Ambient temperatures.

形态
Powder

溶解性
Freely soluble in dichloromethane.

Merck
14,2557

安全信息

TSCA

261432Sigma-AldrichMethyl Coumalate98%3528.61元/10 G;   展开

产品说明

一般描述

Methyl coumalate is a 2-pyrone and acts as dienophile in Diels-Alder reaction. It reacts with 1,3-butadienes at 100℃ to yield tetrahydrocoumarins and 4-methoxycarbonyltricyclo[3.2.1.02,7]octenes. It also reacts with cyclohexadiene to afford tetrahydronaphthalene-2-carboxylate. It undergoes Diels-Alder reaction with unactivated alkenes to afford para-substituted adducts.

应用

Methyl coumalate has been used as reagent in phosphine-catalyzed [4+3] annulation of modified allylic carbonates. It was also used in the preparation of 7-carboxyquinolizinium derivatives.

包装

1, 10 g in glass bottle

基本信息

经验(实验)分子式C7H6O4
分子量154.12
Beilstein126301
EC 号227-871-1
MDL编号MFCD00010120
PubChem化学物质编号24855810
NACRESNA.22

产品性质

测定98%
bp178-180 ℃/60 mmHg (lit.)
mp65-67 ℃ (lit.)
SMILES stringCOC(=O)C1=COC(=O)C=C1
InChI1S/C7H6O4/c1-10-7(9)5-2-3-6(8)11-4-5/h2-4H,1H3
InChI keyHHWWWZQYHPFCBY-UHFFFAOYSA-N

安全信息

储存分类代码13 - Non Combustible Solids
WGKWGK 3
闪点(F)Not applicable
闪点(C)Not applicable
个人防护装备Eyeshields, Gloves, type N95 (US)
067076FluorochemMethyl 2-oxo-2H-pyran-5-carboxylate97%220元/1g;   616元/5g;   990元/10g;   1892元/25g;   展开

基本信息

CAS Number6018-41-3
MDL NumberMFCD00010120
Boiling Point178-180℃
Melting Point66-73℃
Density1.1993

安全信息

图形或危害标志
危险性说明 H315: Causes skin irritation.
H319: Causes serious eye irritation.
H335: May cause respiratory irritation.
防范说明 P233: Keep container tightly closed.
P260: Do not breathe .
P261: Avoid breathing .
P264: Wash hands thoroughly after handling.
P271: Use only outdoors or in a well-ventilated area.
P280: Wear .
P302 + P352: IF ON SKIN: Wash with plenty of soap and water.
P304: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing..
P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P312: Call a POISON CENTER or doctor/physician if you feel unwell.
P321: Specific treatment (see relevant procedures. on this label).
P332 + P313: If skin irritation occurs: Get medical advice/ attention.
P337 + P313: If eye irritation persists: Get medical advice/attention.
P340: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P362: Take off contaminated clothing and wash before reuse.
P403: Store in a well-ventilated place.
P403 + P233: Store in a well-ventilated place. Keep container tightly closed.
P405: Store locked up.
P501: Dispose of contents/container to in accordance with local regulation .
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