ChemicalBook--->CAS DataBase List--->569-31-3

569-31-3

569-31-3 Structure

569-31-3 Structure
IdentificationBack Directory
[Name]

6,7-dimethoxyphthalide
[CAS]

569-31-3
[Synonyms]

Opianyl
Meconine
NSC 35547
Meconic lactone
6,7-dimethoxyphthalide
Noscapine Impurity 4(Meconine)
Meconin (1.0 mg/mL in Chloroform)
6,7-DiMethoxy-3H-1-isobenzofuranone
6,7-dimethoxy-3H-2-benzofuran-1-one
6,7-dimethoxy-3H-isobenzofuran-1-one
6,7-Dimethoxy-1(3H)-isobenzofuranone
6,7-Dimethoxyisobenzofuran-1(3H)-one
cyanoformic acid (phenylmethyl) ester
1(3H)-Isobenzofuranone, 6,7-dimethoxy-
[EINECS(EC#)]

209-311-8
[Molecular Formula]

C10H10O4
[MDL Number]

MFCD00219354
[MOL File]

569-31-3.mol
[Molecular Weight]

194.184
Chemical PropertiesBack Directory
[Melting point ]

103℃
[Boiling point ]

290.62°C (rough estimate)
[density ]

1.2534 (rough estimate)
[refractive index ]

1.5430 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS(pH7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml
[form ]

A crystalline solid
[color ]

White to off-white
[Water Solubility ]

2.5g/L(25 ºC)
Questions And AnswerBack Directory
[Synthesis]

Compound 7 (91.0 g, 0.5 mol), HCHO solution (81 g, 1.0 mol), HCl (80 g, 0.8 mol) and AcOH (200 g) were heated at 50~60 °C for 24 h to obtain a clear solution, which was then poured into cold water Chemicalbook (1kg). The resulting solid was collected by suction filtration, washed with water (60 g x 3), and dried at 50 °C to give crude cinnamon 8 (95 g) as a tan solid, which was purified by recrystallization from 90% MeOH/H2O (180 g) ) to obtain purified Meconin.
Safety DataBack Directory
[HS Code ]

2932990090
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

A lactone of meconinic acid, extracted from opium. Meconin is a marker for illicit opiate use.
[Definition]

ChEBI: Meconine is a member of 2-benzofurans.
[Synthesis Reference(s)]

Tetrahedron Letters, 28, p. 3369, 1987 DOI: 10.1016/S0040-4039(00)95515-1
[IC 50]

Human Endogenous Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

6,7-dimethoxyphthalide(569-31-3)MS
6,7-dimethoxyphthalide(569-31-3)1HNMR
6,7-dimethoxyphthalide(569-31-3)IR1
6,7-dimethoxyphthalide(569-31-3)IR2
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