methyl 3-acetyloxy-2-bromo-3-(3,4-dimethoxyphenyl)propanoate
methyl 3-acetyloxy-2-bromo-3-(3,4-dimethoxyphenyl)propanoate structure
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Common Name | methyl 3-acetyloxy-2-bromo-3-(3,4-dimethoxyphenyl)propanoate | ||
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| CAS Number | 5396-69-0 | Molecular Weight | 361.18500 | |
| Density | 1.402g/cm3 | Boiling Point | 370.3ºC at 760 mmHg | |
| Molecular Formula | C14H17BrO6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 177.8ºC | |
Summary: 1H-Indol-1-one, 3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl), CAS No. 5396-69-0, molecular formula C14H17BrO6, molecular weight 361.18500. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl) |
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| 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 | 1.402g/cm3 |
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| Boiling Point | 370.3ºC at 760 mmHg |
| Molecular Formula | C14H17BrO6 |
| Molecular Weight | 361.18500 |
| Flash Point | 177.8ºC |
| Exact Mass | 360.02100 |
| PSA | 71.06000 |
| LogP | 2.24450 |
| Index of Refraction | 1.525 |
| InChIKey | QXFPBDSWSBVBSX-UHFFFAOYSA-N |
| SMILES | COC(=O)C(Br)C(OC(C)=O)c1ccc(OC)c(OC)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2918990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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methyl 3-acetyl... CAS#:5396-69-0 |
| Literature: Adler; Bjoerkqvist Acta Chemica Scandinavica (1947-1973), 1951 , vol. 5, p. 241,247 |
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~%
methyl 3-acetyl... CAS#:5396-69-0 |
| Literature: Adler; Bjoerkqvist Acta Chemica Scandinavica (1947-1973), 1951 , vol. 5, p. 241,247 |
|
~%
methyl 3-acetyl... CAS#:5396-69-0 |
| Literature: Adler; Bjoerkqvist Acta Chemica Scandinavica (1947-1973), 1951 , vol. 5, p. 241,247 |
|
~%
methyl 3-acetyl... CAS#:5396-69-0 |
| Literature: Adler; Bjoerkqvist Acta Chemica Scandinavica (1947-1973), 1951 , vol. 5, p. 241,247 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918990090 |
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| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-acetoxy-2-bromo-3-(3,4-dimethoxy-phenyl)-propionic acid methyl ester |
| 3-Acetoxy-2-brom-3-(3,4-dimethoxy-phenyl)-propionsaeure-methylester |
| 3-acetoxy-2-benzylisoindolin-1-one |
| 2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl acetate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl)? |
| A: SMILES notation of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl) is COC(=O)C(Br)C(OC(C)=O)c1ccc(OC)c(OC)c1. |
| Q: What is the English name of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl)? |
| A: The English name of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl) is 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl). |
| Q: What is the InChIKey of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl)? |
| A: InChIKey of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl) is QXFPBDSWSBVBSX-UHFFFAOYSA-N. |
| Q: What is the boiling point of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl)? |
| A: Boiling point of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl) is 370.3ºC at 760 mmHg. |
| Q: What is the molecular formula of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl)? |
| A: Molecular formula of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl) is C14H17BrO6. |
| Q: What is the CAS number of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl)? |
| A: CAS number of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl) is 5396-69-0. |
| Q: What English synonyms does 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl) have? |
| A: English synonyms of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl): 3-acetoxy-2-bromo-3-(3,4-dimethoxy-phenyl)-propionic acid methyl ester, 3-Acetoxy-2-brom-3-(3,4-dimethoxy-phenyl)-propionsaeure-methylester, 3-acetoxy-2-benzylisoindolin-1-one, 2-benzyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl acetate. |
| Q: What are the upstream materials of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl)? |
| A: Related upstream materials(CAS) of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl): 5396-67-8;108-24-7;14737-89-4;5396-64-5;5401-66-1;127-08-2. |
| Q: What is the Chinese name of 5396-69-0? |
| A: Chinese name of 5396-69-0 is 5396-69-0. |
| Q: What is the molecular weight of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl)? |
| A: Molecular weight of 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl) is 361.18500. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |