1(3H)-Isobenzofuranone, 3-hydroxy-7-methoxy-5-methyl-

Base Information

Chemical Name:1(3H)-Isobenzofuranone, 3-hydroxy-7-methoxy-5-methyl-
CAS No.:111210-19-6
Molecular Formula:C10H10O4
Molecular Weight:194.187
Hs Code.:
DSSTox Substance ID:DTXSID90462259
Nikkaji Number:J2.060.551K
Mol file:111210-19-6.mol

Synonyms:111210-19-6;1(3H)-Isobenzofuranone, 3-hydroxy-7-methoxy-5-methyl-;DTXSID90462259;3-Hydroxy-5-methyl-7-methoxyisobenzofuran-1(3H)-one;3-Hydroxy-7-methoxy-5-methylisobenzofuran-1(3H)-one

Suppliers and Price of 1(3H)-Isobenzofuranone, 3-hydroxy-7-methoxy-5-methyl-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 0 raw suppliers

Chemical Property of 1(3H)-Isobenzofuranone, 3-hydroxy-7-methoxy-5-methyl-

Chemical Property:

Melting Point:165 °C
Boiling Point:436.2±45.0 °C(Predicted)
PSA：55.76000
Density:1.354±0.06 g/cm3(Predicted)
LogP:1.16490
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:194.05790880
Heavy Atom Count:14
Complexity:240

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC2=C(C(=C1)OC)C(=O)OC2O

Technology Process of 1(3H)-Isobenzofuranone, 3-hydroxy-7-methoxy-5-methyl-

There total 4 articles about 1(3H)-Isobenzofuranone, 3-hydroxy-7-methoxy-5-methyl- 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:

: N,N-diethyl-2-formyl-6-methoxy-4-methylbenzamide

: 1426562-18-6
C₁₀H₁₀O₄

: 111210-19-6
3-hydroxy-7-methoxy-5-methyl-1(3H)-isobenzofuranone

Guidance literature:: With hydrogenchloride; water; acetic acid; for 12h; Overall yield = 65 %; Reflux;
DOI:10.1016/j.bmcl.2013.01.074

Reference yield:

: 111210-20-9
N,N-diethyl-2-methoxy-4-methylbenzamide

: 1426562-18-6
C₁₀H₁₀O₄

: 111210-19-6
3-hydroxy-7-methoxy-5-methyl-1(3H)-isobenzofuranone

Guidance literature:: Multi-step reaction with 2 steps

1.1: sec.-butyllithium; N,N,N,N,-tetramethylethylenediamine / tetrahydrofuran; cyclohexane / 2 h / -78 °C / Inert atmosphere

1.2: -78 - 20 °C / Inert atmosphere

2.1: hydrogenchloride; acetic acid; water / 12 h / Reflux

With hydrogenchloride; N,N,N,N,-tetramethylethylenediamine; water; sec.-butyllithium; acetic acid; In tetrahydrofuran; cyclohexane;
DOI:10.1016/j.bmcl.2013.01.074

Reference yield:

: 704-45-0
2-methoxy-4-methylbenzoic acid

: 1426562-18-6
C₁₀H₁₀O₄

: 111210-19-6
3-hydroxy-7-methoxy-5-methyl-1(3H)-isobenzofuranone

Guidance literature:: Multi-step reaction with 4 steps

1.1: thionyl chloride / 3 h / Inert atmosphere; Reflux

2.1: dichloromethane / 12 h / 0 - 20 °C / Inert atmosphere

3.1: sec.-butyllithium; N,N,N,N,-tetramethylethylenediamine / tetrahydrofuran; cyclohexane / 2 h / -78 °C / Inert atmosphere

3.2: -78 - 20 °C / Inert atmosphere

4.1: hydrogenchloride; acetic acid; water / 12 h / Reflux

With hydrogenchloride; thionyl chloride; N,N,N,N,-tetramethylethylenediamine; water; sec.-butyllithium; acetic acid; In tetrahydrofuran; dichloromethane; cyclohexane;
DOI:10.1016/j.bmcl.2013.01.074