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Methyl 7-[5-[3-[4-bromo-5-(2-methylpropyl)thiophen-2-yl]-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(4-ethoxyphenyl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(5-ethoxythiophen-2-yl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[6-(3-methylbutyl)-1-benzofuran-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[5-(4-methylphenoxy)thiophen-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzofuran-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate

Methyl 7-[5-[3-[4-bromo-5-(2-methylpropyl)thiophen-2-yl]-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(4-ethoxyphenyl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(5-ethoxythiophen-2-yl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[6-(3-methylbutyl)-1-benzofuran-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[5-(4-methylphenoxy)thiophen-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzofuran-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate | CAS No. 9028-85-7

Methyl 7-[5-[3-[4-bromo-5-(2-methylpropyl)thiophen-2-yl]-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(4-ethoxyphenyl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[5-[3-(5-ethoxythiophen-2-yl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[6-(3-methylbutyl)-1-benzofuran-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-[5-(4-methylphenoxy)thiophen-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzofuran-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate;methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate

Basic Information

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CAS Number

9028-85-7

Molecular Formula

C194H219BrO47S4

Molecular Weight

3511 g/mol

EINECS

232-844-2

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

clear brown

Density

1.1 g/mL at 20 °C

SMILES

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CCCC1=CC2=C(C=C1)C=C(O2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CCCC1=CC2=C(C=C1)C=C(S2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CCOC1=CC=C(C=C1)C=C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCC=CCC(=O)OC)O.CCOC1=CC=C(S1)C=C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCC=CCC(=O)OC)O.CC1=CC=C(C=C1)OC2=CC=C(S2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CC(C)CCC1=CC2=C(C=C1)C=C(O2)C=C(C)C(=O)C3=C(C=C(OC3=O)C(C)CCC=CCC(=O)OC)O.CC(C)CC1=C(C=C(S1)C=C(C)C(=O)C2=C(C=C(OC2=O)C(C)CCC=CCC(=O)OC)O)Br

InChI

InChI=1S/C31H36O7.C29H30O7S.C29H32O7.C29H32O6S.C26H31BrO6S.C26H30O7.C24H28O7S/c1-19(2)11-12-22-13-14-23-17-24(37-27(23)16-22)15-21(4)30(34)29-25(32)18-26(38-31(29)35)20(3)9-7-6-8-10-28(33)36-5;1-18-10-12-21(13-11-18)35-26-15-14-22(37-26)16-20(3)28(32)27-23(30)17-24(36-29(27)33)19(2)8-6-5-7-9-25(31)34-4;1-5-9-20-12-13-21-16-22(35-25(21)15-20)14-19(3)28(32)27-23(30)17-24(36-29(27)33)18(2)10-7-6-8-11-26(31)34-4;1-5-9-20-12-13-21-16-22(36-25(21)15-20)14-19(3)28(32)27-23(30)17-24(35-29(27)33)18(2)10-7-6-8-11-26(31)34-4;1-15(2)11-22-19(27)13-18(34-22)12-17(4)25(30)24-20(28)14-21(33-26(24)31)16(3)9-7-6-8-10-23(29)32-5;1-5-32-20-13-11-19(12-14-20)15-18(3)25(29)24-21(27)16-22(33-26(24)30)17(2)9-7-6-8-10-23(28)31-4;1-5-30-21-12-11-17(32-21)13-16(3)23(27)22-18(25)14-19(31-24(22)28)15(2)9-7-6-8-10-20(26)29-4/h6,8,13-20,32H,7,9-12H2,1-5H3;5,7,10-17,19,30H,6,8-9H2,1-4H3;2*6,8,12-18,30H,5,7,9-11H2,1-4H3;6,8,12-16,28H,7,9-11H2,1-5H3;6,8,11-17,27H,5,7,9-10H2,1-4H3;6,8,11-15,25H,5,7,9-10H2,1-4H3

InChIKey

MECJGSAIRDLPQG-UHFFFAOYSA-N

LogP

43.68651999999987

Topological Polar Surface Area

710.6400000000004 Å²

Hydrogen Bond Donor/Acceptor

7 / 47

Complexity

6460

Synonyms & References

English

90463-51-7
9028-85-7
Formate Dehydrogenase from Candida boidinii
Formate Dehydrogenase Pseudomonas spec., recombinant mutante to 79900 from E. coli
Formate Dehydrogenase Pseudomonas spec., recombinant mutante to 79900 NADP-dependant from E. coli from E. coli
Formate Dehydrogenase Pseudomonas spec., recombinant from E. coli
IFDH
FDH
FORMATE DEHYDROGENASE
FORMATE: NAD OXIDOREDUCTASE
FORMATE: NAD+ OXIDOREDUCTASE
Dehydrogenase, formate
NADP-SPECIFIC FORMATE DEHYDROGENASE FROM PSEUDOMONAS SPEC.
Dehydrogenase, formate (9CI)
E.C. 1.17.1.9
E.C. 1.2.1.2
EC 1.17.1.9
EC 1.2.1.2
Formate benzyl-viologen oxidoreductase
Formate benzyl-viologen oxidoreductases
Formate dehydrogenase (NAD)
Formate dehydrogenase H
Formate dehydrogenases
Formate hydrogenlyase
Formate hydrogenlyases
Formate-H2 lyase
Formate-H2 lyases
Formic acid dehydrogenase
Formic acid dehydrogenases
Formic hydrogen-lyase
Formic hydrogen-lyases

EC Number

232-844-2

FAQ

What regulatory guidelines apply to methyl 7-[5-[3-[4-bromo-5-(2-methylpropyl)thiophen-2-yl]-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate (CAS: 9028-85-7)?

Methyl 7-[5-[3-[4-bromo-5-(2-methylpropyl)thiophen-2-yl]-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate (CAS: 9028-85-7) is subject to GHS classification, which includes handling, storage, and disposal guidelines. REACH regulations require manufacturers and importers to register the compound, ensuring it complies with the European Union's chemicals regulations. Additionally, FDA and EPA guidelines must be adhered to for safety and environmental protection during manufacturing and use.

Are there alternatives to methyl 7-[5-[3-(4-ethoxyphenyl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate (CAS: 9028-85-7) in synthesis?

There are several alternatives to methyl 7-[5-[3-(4-ethoxyphenyl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate (CAS: 9028-85-7) in synthesis. These include using isomers such as methyl 7-[5-[3-(5-ethoxythiophen-2-yl)-2-methylprop-2-enoyl]-4-hydroxy-6-oxopyran-2-yl]oct-3-enoate (CAS: 9028-85-7) or substituting with other reagents like methyl 7-[4-hydroxy-5-[2-methyl-3-[5-(4-methylphenoxy)thiophen-2-yl]prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate (CAS: 9028-85-7). These alternatives offer similar functional groups and properties but with varying reactivity and safety profiles.

What is the market or research trend for methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate (CAS: 9028-85-7)?

The market and research trends for methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate (CAS: 9028-85-7) are driven by its potential applications in pharmaceuticals and agrochemicals. Research is focusing on its synthesis, structural modification, and biological activities. Market trends indicate growing interest in novel compounds for medicinal and pesticidal purposes, with a focus on sustainability and eco-friendliness.

How should waste containing methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate (CAS: 9028-85-7) be handled?

Waste containing methyl 7-[4-hydroxy-5-[2-methyl-3-(6-propyl-1-benzothiophen-2-yl)prop-2-enoyl]-6-oxopyran-2-yl]oct-3-enoate (CAS: 9028-85-7) should be handled according to waste minimization and disposal regulations. Collect waste in sealed containers and ensure proper labeling. Incineration or professional waste disposal services should be used for final disposal. Follow environmental protection guidelines to prevent contamination. Always consult local regulatory authorities for specific disposal methods and permits.