4-({4-[(6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}methyl)benzoic acid structure

3D Mol Similar

4-({4-[(6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}methyl)benzoic acid

Iupac Name：anthracen-9-ylmethanol

CAS No.: 1468-95-7

Molecular Weight：208.26

Modify Date.: 2022-04-20 02:33

Request For Quotation

1. Names and Identifiers

1.1 Name: 4-({4-[(6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}methyl)benzoic acid

2. Properties

3.1 Density: 1.1±0.1 g/cm3 (Predicted)

3.1 Melting point: 160-164℃

3.1 Boiling point: 604.0±55.0 C at 760 mmHg (Predicted)

3.1 Refractive index: 1.729

3.1 Flash Point: 275.9±27.3 C (Predicted)

3.1 Vapour pressure: 6.35E-08mmHg at 25°C

3.1 Precise Quality: 208.08900

3.1 PSA: 20.23000

3.1 logP: 3.48530

3. Safety and Handling

4.1 Risk Statements: R20/21/22

4.1 Safety Statements: S24/25

4.1 RIDADR: NONH for all modes of transport

4.1 WGK Germany: 3

4.1 RTECS: CB0577500

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Germ cell mutagenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H341 Suspected of causing genetic defects
Precautionary statement(s)
Prevention	P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P308+P313 IF exposed or concerned: Get medical advice/ attention.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. Computational chemical data

Molecular Weight: 208.26g/mol
Molecular Formula: C_₂₆H_₂₆N_₄O_₃S
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 208.088815002
Monoisotopic Mass: 208.088815002
Complexity: 216
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 20.2
Heavy Atom Count: 16
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAGgAACAAADACgmAIwAMAAAgCAAiBCAAACAAAgAAAIiAAACIgINiKAERCAcAAkwAEImAeAwOAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

7. Realated Product Infomation

433233-19-3 {2,6-dichloro-4-[(6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid

354561-79-8 4-({2-[(6-(ethoxycarbonyl)-5-(2-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}methyl)benzoic acid

445405-30-1 4-({4-[(6-(ethoxycarbonyl)-5-(2-methoxyphenyl)-3-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}methyl)benzoic acid

353510-03-9 {4-[(6-(ethoxycarbonyl)-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid

423745-93-1 2-[4-[[5-(4-chlorophenyl)-6-ethoxycarbonyl-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid

445404-87-5 4-[(6-(ethoxycarbonyl)-5-(4-isopropylphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]benzoic acid

306984-73-6 3-(5-((6-(ethoxycarbonyl)-3-oxo-5,7-diphenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-2-ylidene)methyl)furan-2-yl)benzoic acid|3-(5-((6-(ethoxycarbonyl)-3-oxo-5,7-diphenyl-thiazolo[3,2-a]pyrimidin-2(5H \n)-ylidene)methyl) furan-2-yl)benzoic acid

Recently Updated : 471273-55-9 471845-79-1 473444-79-0 474377-00-9 476621-76-8 477498-82-1 482576-00-1 482643-11-8 482649-93-4 482652-46-0