4,5-Dimethoxy-1-indanone
4,5-Dimethoxy-1-indanone structure
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Common Name | 4,5-Dimethoxy-1-indanone | ||
|---|---|---|---|---|
| CAS Number | 6342-80-9 | Molecular Weight | 192.21100 | |
| Density | 1.179 g/cm3 | Boiling Point | 350.3ºC at 760 mmHg | |
| Molecular Formula | C11H12O3 | Melting Point | 73-77ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 156.9ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4,5-Dimethoxy-1-indanone |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.179 g/cm3 |
|---|---|
| Boiling Point | 350.3ºC at 760 mmHg |
| Melting Point | 73-77ºC(lit.) |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.21100 |
| Flash Point | 156.9ºC |
| Exact Mass | 192.07900 |
| PSA | 35.53000 |
| LogP | 1.83270 |
| Index of Refraction | 1.549 |
| InChIKey | XQODIRIVQXQUFN-UHFFFAOYSA-N |
| SMILES | COc1ccc2c(c1OC)CCC2=O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xn |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3.0 |
| HS Code | 2914509090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~95%
4,5-Dimethoxy-1... CAS#:6342-80-9 |
| Literature: Ahmad; Snieckus Canadian Journal of Chemistry, 1982 , vol. 60, # 21 p. 2678 - 2686 |
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~%
4,5-Dimethoxy-1... CAS#:6342-80-9 |
| Literature: Synthetic Communications, , vol. 31, # 13 p. 2029 - 2036 |
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~65%
4,5-Dimethoxy-1... CAS#:6342-80-9 |
| Literature: Fillion, Eric; Fishlock, Dan; Wilsily, Ashraf; Goll, Julie M. Journal of Organic Chemistry, 2005 , vol. 70, # 4 p. 1316 - 1327 |
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~%
4,5-Dimethoxy-1... CAS#:6342-80-9 |
| Literature: Journal of Organic Chemistry, , vol. 70, # 4 p. 1316 - 1327 |
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~%
4,5-Dimethoxy-1... CAS#:6342-80-9 |
| Literature: Journal of Medicinal Chemistry, , vol. 34, # 6 p. 1896 - 1907 |
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~%
4,5-Dimethoxy-1... CAS#:6342-80-9 |
| Literature: Journal of the American Chemical Society, , vol. 76, p. 1700 |
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~%
4,5-Dimethoxy-1... CAS#:6342-80-9 |
| Literature: Journal of Organic Chemistry, , vol. 39, # 19 p. 2852 - 2855 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 1 | |
CAS#:66487-71-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914509090 |
|---|---|
| Summary | HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4,5-dimethoxy-2,3-dihydroinden-1-one |
| MFCD00463187 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 4,5-Dimethoxy-1-indanone have? |
| A: English synonyms of 4,5-Dimethoxy-1-indanone: 4,5-dimethoxy-2,3-dihydroinden-1-one, MFCD00463187. |
| Q: What is the melting point of 4,5-Dimethoxy-1-indanone? |
| A: Melting point of 4,5-Dimethoxy-1-indanone is 73-77ºC(lit.). |
| Q: What is the boiling point of 4,5-Dimethoxy-1-indanone? |
| A: Boiling point of 4,5-Dimethoxy-1-indanone is 350.3ºC at 760 mmHg. |
| Q: What is the LogP of 4,5-Dimethoxy-1-indanone? |
| A: LogP of 4,5-Dimethoxy-1-indanone is 1.83270. |
| Q: What are the downstream products of 4,5-Dimethoxy-1-indanone? |
| A: Related downstream products(CAS) of 4,5-Dimethoxy-1-indanone: 66487-71-6. |
| Q: What is the molecular formula of 4,5-Dimethoxy-1-indanone? |
| A: Molecular formula of 4,5-Dimethoxy-1-indanone is C11H12O3. |
| Q: What is the molecular weight of 4,5-Dimethoxy-1-indanone? |
| A: Molecular weight of 4,5-Dimethoxy-1-indanone is 192.21100. |
| Q: What are the upstream materials of 4,5-Dimethoxy-1-indanone? |
| A: Related upstream materials(CAS) of 4,5-Dimethoxy-1-indanone: 10538-48-4;7345-82-6;848610-54-8;86-51-1;7461-60-1;43014-31-9;141-82-2. |
| Q: What is the English name of 4,5-Dimethoxy-1-indanone? |
| A: The English name of 4,5-Dimethoxy-1-indanone is 4,5-Dimethoxy-1-indanone. |
| Q: What is the InChIKey of 4,5-Dimethoxy-1-indanone? |
| A: InChIKey of 4,5-Dimethoxy-1-indanone is XQODIRIVQXQUFN-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |