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4,5-Dimethoxy-1-indanone

4,5-Dimethoxy-1-indanone structure

CAS No:
6342-80-9
Formula:
C11H12O3
Chemical Name:
4,5-Dimethoxy-1-indanone
Synonyms:
1H-Inden-1-one,2,3-dihydro-4,5-dimethoxy-;1-Indanone,4,5-dimethoxy-;2,3-Dihydro-4,5-dimethoxy-1H-inden-1-one;4,5-Dimethoxy-1-indanone;NSC 46649
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

4,5-dimethoxy-2,3-dihydroinden-1-one is a member of indanones.

4,5-Dimethoxy-1-indanone Basic Attributes

Molecular Weight：

192.214

Exact Mass：

192.21

NSC Number：

46649

DSSTox ID：

DTXSID00286605

HScode：

2914509090

Characteristics

PSA：

35.5

XLogP3：

1.6

Appearance：

WHITE TO YELLOW POWDER, CRYSTALS,CRYSTALLINE POWDER AND/OR CHUNKS

Density：

1.179 g/cm3

Melting Point：

82 °C

Boiling Point：

160-161 °C @ Press: 2 Torr

Flash Point：

156.9ºC

Refractive Index：

1.549

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4,5-Dimethoxy-1-indanone Use and Manufacturing

Carboxylic acid 9 (4.99 g, 23.7 mmol) was mixed with Eaton's reagent (47.5 mL, 3 g per mmol of carboxylic acid 9) and stirred for 72 h at room temperature. The mixture was then poured over ice, neutralized, and extracted with EtOAc (3×75 mL). The organic layer was dried over sodium sulfate, concentrated and purified by flash chromatography using a prepacked 100 g silica column [solvent A: EtOAc; solvent B: hexane; gradient: 7percent A/93percent B (1 CV), 7percent A/93percent B→60percent A/40percent B (10 CV), 60percent A/40percent B (2 CV); flow rate: 40 mL/min; monitored at 254 nm and 280 nm] to afford ketone 11 (2.01 g, 10.5 mmol, 44percent) as a yellow solid.

Computed Properties

Molecular Weight:192.21
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:192.078644241
Monoisotopic Mass:192.078644241
Topological Polar Surface Area:35.5
Heavy Atom Count:14
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4,5-DIMETHOXY-1-INDANONE 99% white powder kanbei

CAS No.: 6342-80-9

Grade: Pharmaceutical Grade

Content: 99%

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