4',5'-Dihydro-8-methoxypsoralen

HCID 77409

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Basic information

CAS: 3779-03-1
Standard SMILES: COc1c2c(cc3ccc(=O)oc13)CCO2
InChIKey: BUNGCZLFHHXKBX-UHFFFAOYSA-N
Molecular formula: C12H10O4
Average molar mass: 218.2 g/mol
Monoisotopic mass: 218.0579088

Overview

9-Methoxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one has been reported in Aegle marmelos with data available.

Names & identifiers

Preferred name: 4',5'-Dihydro-8-methoxypsoralen
IUPAC: 9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
English name: 9-METHOXY-2,3-DIHYDROFURO[3,2-G]COUMARIN
Molecular formula: C12H10O4
Molecular weight: 218.21

Names & synonyms

3779-03-17H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-methoxy-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one9-Methoxy-2,3-dihydrofuro[3,2-g]coumarinZE8WE76SKK4',5'-Dihydro-8-methoxypsoralenNSC-401281DTXSID70631882,3-Dihydro-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-9-methoxy-9-METHOXY-2,3-DIHYDROFURO(3,2-G)COUMARIN2,3-dihydro-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one

Show more names

2,3-dihydroxanthotoxin2-g][1]benzopyran-7-one,2,3-dihydro-9-methoxy-7h-furo[9-Methoxy-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one

5-BENZOFURANACRYLIC ACID, 2,3-DIHYDRO-6-HYDROXY-7-METHOXY-, .DELTA.-LACTONE9-methoxy-2,3-dihydrofuro(3,2-g)chromen-7-oneRefChem:505870DTXCID30394065-BENZOFURANACRYLIC ACID, 2,3-DIHYDRO-6-HYDROXY-7-METHOXY-, DELTA-LACTONE223-238-99-Methoxy-2H-furo[3,2-g]chromen-7(3H)-one9-methoxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one

Database identifiers

CAS: 3779-03-1
PubChem CID: 77409
DTXSID: DTXSID7063188
ChEMBL: CHEMBL139604
UNII: ZE8WE76SKK
EC Number: 223-238-9
Nikkaji: J217.677G

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 325

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 158 · 158-160°C
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: DMSO (Slightly), Methanol (Slightly, Heated)
form: Solid
color: White to Off-White
FDA UNII: 8 WE76SKK · ZE8WE76SKK
EPA Substance Registry System: 7 H-Furo[3,2-g][1]benzopyran-7-one, · 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-methoxy- (3779-03-1)
TSCA: TSCA listed

Safety & regulation

Safety data

tsca: TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-methoxy-: INACTIVE

Applications

Uses4',5'-Dihydro-8-methoxypsoralen is a furocouramin derivative with insect antifeeding activity. 4',5'-Dihydro-8-methoxypsoralen is dihydro impurity as well as a metabolite of 8-Methoxypsoralen (M260795 ), also known as Methoxsalen.

Uses4'',5''-Dihydro-8-methoxypsoralen is a furocouramin derivative with insect antifeeding activity. 4'',5''-Dihydro-8-methoxypsoralen is dihydro impurity as well as a metabolite of 8-Methoxypsoralen (M260795), also known as Methoxsalen.