25J4W8YK6M

Base Information

Chemical Name:25J4W8YK6M
CAS No.:452296-40-1
Molecular Formula:C₂₀H₁₉NO₃S
Molecular Weight:353.442
Hs Code.:
UNII:25J4W8YK6M
Nikkaji Number:J3.560.319K
Mol file:452296-40-1.mol

Synonyms:R231857

Suppliers and Price of 25J4W8YK6M

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 25J4W8YK6M

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:353.10856464
Heavy Atom Count:25
Complexity:474

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN(CC=C(C1=CC=C(C=C1)C2=CC=CO2)C3=CSC=C3)CC(=O)O
Isomeric SMILES:CN(C/C=C(/C1=CC=C(C=C1)C2=CC=CO2)\C3=CSC=C3)CC(=O)O

Technology Process of 25J4W8YK6M

There total 9 articles about 25J4W8YK6M which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

: 1018987-51-3
methyl N-[(2Z)-3-[4-(2-furyl)phenyl]-3-(3-thienyl)-2-propen-1-yl]-N-methylglycinate oxalate salt

: 452296-40-1
N-[(2Z)-3-[4-(2-furyl)phenyl]-3-(3-thienyl)-2-propen-1-yl]-N-methylglycine

Guidance literature:: methyl N-[(2Z)-3-[4-(2-furyl)phenyl]-3-(3-thienyl)-2-propen-1-yl]-N-methylglycinate oxalate salt; With water; potassium carbonate; In tert-butyl methyl ether; at 20 ℃; for 1h;

With sodium hydroxide; water; In methanol; at 60 ℃; for 4h;
DOI:10.1021/op900015g

Reference yield:

: 1018987-52-4
3-[4-(2-furyl)phenyl]-2-propyn-1-ol

: 452296-40-1
N-[(2Z)-3-[4-(2-furyl)phenyl]-3-(3-thienyl)-2-propen-1-yl]-N-methylglycine

Guidance literature:: Multi-step reaction with 6 steps

1.1: sodium bis(2-methoxyethoxy)aluminium dihydride / tetrahydrofuran / 0.25 h / 0 °C

2.1: zinc(II) chloride / [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II) dichloride / tetrahydrofuran; ethyl acetate / 3 h / 20 °C

3.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.5 h / 0 - 5 °C

4.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 °C

5.1: ethanol / 60 °C

6.1: potassium carbonate / methyltertbutyl ether; water / 1.25 h

6.2: 4.5 h / 60 °C

6.3: 60 °C

With potassium carbonate; N-ethyl-N,N-diisopropylamine; sodium bis(2-methoxyethoxy)aluminium dihydride; zinc(II) chloride; [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II) dichloride; In tetrahydrofuran; ethanol; dichloromethane; methyltertbutyl ether; water; ethyl acetate;

Reference yield:

: 589-87-7
1,4-bromoiodobenzene

: 452296-40-1
N-[(2Z)-3-[4-(2-furyl)phenyl]-3-(3-thienyl)-2-propen-1-yl]-N-methylglycine

Guidance literature:: Multi-step reaction with 8 steps

1.1: tetrabutylammomium bromide; sodium carbonate; triphenylphosphine / palladium 10% on activated carbon / tetrahydrofuran; water / 60 °C

2.1: copper(l) iodide; N-butylamine / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1-methyl-pyrrolidin-2-one

2.2: 1 h / 50 °C

3.1: sodium bis(2-methoxyethoxy)aluminium dihydride / tetrahydrofuran / 0.25 h / 0 °C

4.1: zinc(II) chloride / [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II) dichloride / tetrahydrofuran; ethyl acetate / 3 h / 20 °C

5.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.5 h / 0 - 5 °C

6.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 4 °C

7.1: ethanol / 60 °C

8.1: potassium carbonate / methyltertbutyl ether; water / 1.25 h

8.2: 4.5 h / 60 °C

8.3: 60 °C

With copper(l) iodide; tetrabutylammomium bromide; sodium carbonate; potassium carbonate; N-butylamine; N-ethyl-N,N-diisopropylamine; triphenylphosphine; sodium bis(2-methoxyethoxy)aluminium dihydride; zinc(II) chloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II) dichloride; palladium 10% on activated carbon; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; ethanol; dichloromethane; methyltertbutyl ether; water; ethyl acetate;