3-(2,4-Diacetoxyphenyl)-4-(bromomethyl)-7-acetoxycoumarin

Base Information

Chemical Name:3-(2,4-Diacetoxyphenyl)-4-(bromomethyl)-7-acetoxycoumarin
CAS No.:554430-09-0
Molecular Formula:C₂₂H₁₇BrO₈
Molecular Weight:489.276
Hs Code.:
DSSTox Substance ID:DTXSID70457820
Nikkaji Number:J2.068.473I

Synonyms:554430-09-0;3-(2,4-Diacetoxyphenyl)-4-(bromomethyl)-7-acetoxycoumarin;AGN-PC-0NH77L;SCHEMBL5107933;DTXSID70457820;GOHSNCUPDRMOON-UHFFFAOYSA-N;Acetic acid 3-acetoxy-4-(7-acetoxy-4-bromomethyl-2-oxo-2H-chromen-3-yl)-phenyl ester;Acetic acid 3-acetoxy-4-(7-acetoxy4-bromomethyl-2-oxo-2H-chromen-3-yl)-phenyl ester

Suppliers and Price of 3-(2,4-Diacetoxyphenyl)-4-(bromomethyl)-7-acetoxycoumarin

Supply Marketing:

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

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Chemical Property of 3-(2,4-Diacetoxyphenyl)-4-(bromomethyl)-7-acetoxycoumarin

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:488.01068
Heavy Atom Count:31
Complexity:776

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=C(C=C(C=C3)OC(=O)C)OC(=O)C)CBr

Technology Process of 3-(2,4-Diacetoxyphenyl)-4-(bromomethyl)-7-acetoxycoumarin

There total 20 articles about 3-(2,4-Diacetoxyphenyl)-4-(bromomethyl)-7-acetoxycoumarin 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: 44.0%

: 554430-05-6
7-acetoxy-3-[(2,4-diacetoxy)phenyl]-4-methylcoumarin

: 554430-09-0
7-acetoxy-4-bromomethyl-3-[(2,4-diacetoxy)phenyl]-coumarin

Guidance literature:: With tetrachloromethane; N-Bromosuccinimide; benzoic acid anhydride;
DOI:10.1021/op700020f

Reference yield: 44.0%

: 554430-05-6
7-acetoxy-3-[(2,4-diacetoxy)phenyl]-4-methylcoumarin

: C₂₂H₁₆Br₂O₈

: 554430-09-0
7-acetoxy-4-bromomethyl-3-[(2,4-diacetoxy)phenyl]-coumarin

Guidance literature:: With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; at 76 ℃; for 100h; Reagent/catalyst; Temperature; Time; Inert atmosphere; Irradiation;
DOI:10.1021/op050242p

Reference yield:

: 89-84-9
2',4'-dihydroxy-4-acetophenone

: 554430-09-0
7-acetoxy-4-bromomethyl-3-[(2,4-diacetoxy)phenyl]-coumarin

Guidance literature:: Multi-step reaction with 4 steps

1: triethylamine / Heating

2: 80 percent / pyridine/HCl / 200 °C

3: pyridine

4: 40 percent / NBS; benzoyl peroxide / CCl₄ / Irradiation

With pyridine; hydrogenchloride; N-Bromosuccinimide; triethylamine; dibenzoyl peroxide; In tetrachloromethane;
DOI:10.1016/j.tetlet.2004.06.008