Methyl 2-(3-amino-4-hydroxyphenyl)acetate
Methyl 2-(3-amino-4-hydroxyphenyl)acetate structure
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Common Name | Methyl 2-(3-amino-4-hydroxyphenyl)acetate | ||
|---|---|---|---|---|
| CAS Number | 78587-72-1 | Molecular Weight | 181.18900 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C9H11NO3 | Melting Point | 102-105ºC | |
| MSDS | N/A | Flash Point | N/A | |
Summary: Methyl 2-(3-amino-4-hydroxyphenyl)acetate (Chinese name: 3-氨基-4-羟基-苯乙酸甲酯, CAS number: 78587-72-1), molecular formula: C9H11NO3, molecular weight: 181.18900, melting point: 102-105℃. 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 | Methyl 2-(3-amino-4-hydroxyphenyl)acetate |
|---|---|
| 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.
| Melting Point | 102-105ºC |
|---|---|
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.18900 |
| Exact Mass | 181.07400 |
| PSA | 72.55000 |
| LogP | 1.27110 |
| InChIKey | CEPDWEWFQRUWPP-UHFFFAOYSA-N |
| SMILES | COC(=O)Cc1ccc(O)c(N)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2922509090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~97%
Methyl 2-(3-ami... CAS#:78587-72-1 |
| Literature: OXFORD GLYCOSCIENCES (UK) LTD Patent: WO2004/46122 A2, 2004 ; Location in patent: Page 15-16 ; |
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Methyl 2-(3-ami... CAS#:78587-72-1 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 9 p. 2295 - 2299 |
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Methyl 2-(3-ami... CAS#:78587-72-1 |
| Literature: WO2013/19682 A1, ; WO 2013/019682 A1 |
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Methyl 2-(3-ami... CAS#:78587-72-1 |
| Literature: WO2013/131408 A1, ; |
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Methyl 2-(3-ami... CAS#:78587-72-1 |
| Literature: WO2013/131408 A1, ; |
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Methyl 2-(3-ami... CAS#:78587-72-1 |
| Literature: WO2013/131408 A1, ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 2 | |
![METHYL 2-(BENZO[D]OXAZOL-5-YL)ACETATE structure](https://image.chemsrc.com/caspic/333/97479-79-3.png)
CAS#:97479-79-3
CAS#:866038-49-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2922509090 |
|---|---|
| Summary | 2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. 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: 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: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| methyl-2-(3-amino-4-hydroxyphenyl)acetate |
| Methyl 3-amino-4-hydroxyphenyl acetate |
| 3-amino-4-hydroxyphenylacetic acid methyl ester |
| methylaminohydroxyphenylacetate |
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 Methyl 2-(3-amino-4-hydroxyphenyl)acetate? |
| A: SMILES notation of Methyl 2-(3-amino-4-hydroxyphenyl)acetate is COC(=O)Cc1ccc(O)c(N)c1. |
| Q: What are the upstream materials of Methyl 2-(3-amino-4-hydroxyphenyl)acetate? |
| A: Related upstream materials(CAS) of Methyl 2-(3-amino-4-hydroxyphenyl)acetate: 61873-93-6;10463-20-4;156-38-7;23786-14-3;34837-88-2;104-01-8. |
| Q: What are the downstream products of Methyl 2-(3-amino-4-hydroxyphenyl)acetate? |
| A: Related downstream products(CAS) of Methyl 2-(3-amino-4-hydroxyphenyl)acetate: 97479-79-3;866038-49-5. |
| Q: What is the polar surface area (PSA) of Methyl 2-(3-amino-4-hydroxyphenyl)acetate? |
| A: Polar surface area (PSA) of Methyl 2-(3-amino-4-hydroxyphenyl)acetate is 72.55000. |
| Q: What is the English name of Methyl 2-(3-amino-4-hydroxyphenyl)acetate? |
| A: The English name of Methyl 2-(3-amino-4-hydroxyphenyl)acetate is Methyl 2-(3-amino-4-hydroxyphenyl)acetate. |
| Q: What is the melting point of Methyl 2-(3-amino-4-hydroxyphenyl)acetate? |
| A: Melting point of Methyl 2-(3-amino-4-hydroxyphenyl)acetate is 102-105ºC. |
| Q: What is the InChIKey of Methyl 2-(3-amino-4-hydroxyphenyl)acetate? |
| A: InChIKey of Methyl 2-(3-amino-4-hydroxyphenyl)acetate is CEPDWEWFQRUWPP-UHFFFAOYSA-N. |
| Q: What is the CAS number of Methyl 2-(3-amino-4-hydroxyphenyl)acetate? |
| A: CAS number of Methyl 2-(3-amino-4-hydroxyphenyl)acetate is 78587-72-1. |
| Q: What English synonyms does Methyl 2-(3-amino-4-hydroxyphenyl)acetate have? |
| A: English synonyms of Methyl 2-(3-amino-4-hydroxyphenyl)acetate: methyl-2-(3-amino-4-hydroxyphenyl)acetate, Methyl 3-amino-4-hydroxyphenyl acetate, 3-amino-4-hydroxyphenylacetic acid methyl ester, methylaminohydroxyphenylacetate. |
| Q: What is the molecular weight of Methyl 2-(3-amino-4-hydroxyphenyl)acetate? |
| A: Molecular weight of Methyl 2-(3-amino-4-hydroxyphenyl)acetate is 181.18900. |
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. |