Acetic acid, 2-(6-hexyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yloxy)-, ethyl ester

Base Information

Chemical Name:Acetic acid, 2-(6-hexyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yloxy)-, ethyl ester
CAS No.:80761-90-6
Molecular Formula:C₂₃H₂₇NO₅S
Molecular Weight:429.537
Hs Code.:
DSSTox Substance ID:DTXSID60230629
Nikkaji Number:J70.998K
Wikidata:Q83111269

Synonyms:BRN 5157580;Acetic acid, 2-(6-hexyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yloxy)-, ethyl ester;80761-90-6;3-(2-Methyl-4-thiazolyl)-6-hexyl-7-ethoxycarbonylmethoxychromanone;2-(6-Hexyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yloxy)acetic acid ethyl ester;ethyl {[6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-4H-chromen-7-yl]oxy}acetate;ChemDiv1_001807;HMS592C03;DTXSID60230629;STL349546;AKOS001612461;SR-01000417150;SR-01000417150-1;[6-Hexyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yloxy]acetic acid ethyl ester

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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 Acetic acid, 2-(6-hexyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yloxy)-, ethyl ester

Chemical Property:

Vapor Pressure:3.7E-13mmHg at 25°C
Boiling Point:573.5°C at 760 mmHg
Flash Point:300.6°C
Density:1.213g/cm³
XLogP3:5.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:429.16099414
Heavy Atom Count:30
Complexity:625

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCC1=CC2=C(C=C1OCC(=O)OCC)OC=C(C2=O)C3=CSC(=N3)C

Technology Process of Acetic acid, 2-(6-hexyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yloxy)-, ethyl ester

There total 4 articles about Acetic acid, 2-(6-hexyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yloxy)-, ethyl ester 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: 81.0%

: 105-36-2
ethyl bromoacetate

: 80761-85-9
3-(2-Methyl-4-thiazolyl)-6-hexyl-7-hydroxychromanone

: 80761-90-6
3-(2-Methyl-4-thiazolyl)-6-hexyl-7-ethoxycarbonylmethoxychromanone

Guidance literature:: With potassium carbonate; In acetone; for 3h; Heating;
DOI:10.1007/BF00760454

Reference yield:

: 13458-33-8
(2-methyl-4-thiazolyl)acetonitrile

: 80761-90-6
3-(2-Methyl-4-thiazolyl)-6-hexyl-7-ethoxycarbonylmethoxychromanone

Guidance literature:: Multi-step reaction with 3 steps

1: 60 percent / HCl, BF₃*Et₂O / 1.) 50-60 deg C, 12 h, 2.) 20 deg C, 1 d

2: 75 percent / piperidine / pyridine / 7 h / 120 - 130 °C

3: 81 percent / K₂CO₃ / acetone / 3 h / Heating

With piperidine; hydrogenchloride; boron trifluoride diethyl etherate; potassium carbonate; In pyridine; acetone;
DOI:10.1007/BF00760454

Reference yield:

: 136-77-6
4-Hexylresorcinol

: 80761-90-6
3-(2-Methyl-4-thiazolyl)-6-hexyl-7-ethoxycarbonylmethoxychromanone

Guidance literature:: Multi-step reaction with 3 steps

1: 60 percent / HCl, BF₃*Et₂O / 1.) 50-60 deg C, 12 h, 2.) 20 deg C, 1 d

2: 75 percent / piperidine / pyridine / 7 h / 120 - 130 °C

3: 81 percent / K₂CO₃ / acetone / 3 h / Heating

With piperidine; hydrogenchloride; boron trifluoride diethyl etherate; potassium carbonate; In pyridine; acetone;
DOI:10.1007/BF00760454