Cas no 104-01-8 (4-Methoxyphenylacetic acid)
4-Methoxyphenylacetic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Methoxyphenylacetic acid
- ASISCHEM D13364
- HOMOANISIC ACID
- HOMO-P-ANISIC ACID
- P-METHOXY-A-CARBOXYTOLUENE
- P-METHOXYPHENYLACETIC ACID
- RARECHEM AL BO 0133
- (4-methoxyphenyl)ethanoicacid
- 2-(p-Anisyl)acetic acid
- 4-methoxy-benzeneaceticaci
- 4-methoxybenzeneaceticacid
- 4-methoxy-Benzeneaceticacid
- 4-methoxybenzeneethanoicacid
- 4-Methoxyphenylethanoicacid
- Acetic acid, (p-methoxyphenyl)-
- Benzeneaceticacid,4-methoxy-
- ethanoicacid,(4-methoxyphenyl)-
- 4-Methoxyphenylaceti
- 2-(4-methoxyphenyl)acetic acid
- p-Methoxy-α-toluic acid
- p-Anisylacetic acid
- p-Methioxy-toluicacid
- 4-Methoxyphenylacetic
- LABOTEST-BB LT00848110
- 2-(p-anisyl)aceticacid
- 4-Methoxybenzeneacetic acid
- Benzeneacetic acid, 4-methoxy-
- (4-Methoxyphenyl)acetic acid
- (p-Methoxyphenyl)acetic acid
- 4-Methoxyphenyl acetic acid
- p-Methoxy-alpha-toluic acid
- AJP2V8U5K6
- Acetic acid, p-methoxyphenyl-
- (4-Methoxy-phenyl)-acetic acid
- NRPFNQUDK
- p-Methoxy-a-toluate
- NCIOpen2_000187
- SY001095
- NSC-27799
- PD124018
- NSC65597
- AE-562/40223956
- WLN: QV1R DO1
- 4-methoxyphenacetic acid
- SCHEMBL240822
- Q63398108
- J-001093
- NSC27799
- 2-(p-Anisyl)acetate
- p-Methoxy-.alpha.-toluic acid
- 4-Methoxybenzeneacetate
- 4-methoxy-benzeneacetate
- [4-(methyloxy)phenyl]acetic acid
- DTXSID1059288
- para-methoxyphenylacetic acid
- BDBM231634
- D70488
- Z104476074
- p-Methoxy-alpha-toluate
- p-Methoxy-a-toluic acid
- (4-Methoxy-phenyl)-acetate
- EINECS 203-166-4
- 4-Methoxyphenylacetic acid, ReagentPlus(R), 99%
- STR06306
- (4-methoxyphenyl)ethanoic acid
- InChI=1/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11
- HY-W004206
- 2-(4-methoxyphenyl)-acetic acid
- NSC 27799
- p-methoxyphenyl-acetic acid
- UNII-AJP2V8U5K6
- AKOS000119748
- EN300-19915
- MFCD00004345
- 4-Methoxyphenylaceticacid
- FT-0618952
- 104-01-8
- NSC-65597
- 4-methoxyphenylacetate
- (4-methoxyphenyl)-acetic acid
- 4-Methoxyphenylacetic acid, Vetec(TM) reagent grade, 98%
- BRN 1101737
- AM20060481
- Epitope ID:119696
- s6273
- (4methoxy-phenyl)-acetic acid
- CHEMBL1760597
- AC-2432
- (p-Methoxyphenyl)acetate
- p-methoxy phenyl acetic acid
- F3308-1732
- Homoanisate
- 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine Hcl
- BCP27492
- NS00023274
- 2-(P-METHOXYPHENYL)ACETIC ACID
- PS-3381
- CS-W004206
- p-methoxyphenyl acetic acid
- CHEBI:55501
- p-methoxyphenyl-acetate
- 4-methoxy-benzeneacetic acid
- 4-Methoxy phenylacetic acid
- M0742
- DTXCID3032836
- p-Methoxy-I+--toluate
- p-Methoxy-I+--toluic acid
- acetic acid, 2-(4-methoxyphenyl)-
- STK498739
- BBL009361
- 4-10-00-00544 (Beilstein Handbook Reference)
- p-Methoxyphenylacetate
- ONONETIN_met012
- (4-methoxyphenyl)acetate
-
- MDL: MFCD00004345
- Inchi: 1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
- InChI Key: NRPFNQUDKRYCNX-UHFFFAOYSA-N
- SMILES: O(C)C1C=CC(=CC=1)CC(=O)O
- BRN: 1101737
Computed Properties
- Exact Mass: 166.06300
- Monoisotopic Mass: 166.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.4
- Topological Polar Surface Area: 46.5
- Molecular Weight: 166.17
Experimental Properties
- Color/Form: White flake junction crystals
- Density: 1.1708 (rough estimate)
- Melting Point: 84-86?°C (lit.)
- Boiling Point: 140?°C/3?mmHg(lit.)
- Flash Point: 193℃
- Refractive Index: 1.5101 (estimate)
- Solubility: 6g/l
- Water Partition Coefficient: 6 g/L (20 oC)
- PSA: 46.53000
- LogP: 1.32230
- FEMA: 2878
- Solubility: Soluble in ethanol, soluble in ether, insoluble in water.
4-Methoxyphenylacetic acid Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Danger
- Hazard Statement: H302-H315-H318-H335
- Warning Statement: P261-P280-P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 22-36/37/38
- Safety Instruction: S26-S36
- RTECS:AI8960000
-
Hazardous Material Identification:
- TSCA:Yes
- Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
- Risk Phrases:R22; R36/37/38
- Safety Term:S26;S36
4-Methoxyphenylacetic acid Customs Data
- HS CODE:29189090
- Customs Data:
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
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%
4-Methoxyphenylacetic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S115483-25g |
4-Methoxyphenylacetic acid |
104-01-8 | 99% | 25g |
¥49.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S115483-500g |
4-Methoxyphenylacetic acid |
104-01-8 | 99% | 500g |
¥546.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | S115483-100g |
4-Methoxyphenylacetic acid |
104-01-8 | 99% | 100g |
¥120.90 | 2023-09-01 | |
| Chemenu | CM247460-500g |
4-Methoxyphenylacetic acid |
104-01-8 | 95+% | 500g |
$102 | 2021-06-16 | |
| DC Chemicals | DCZ-249-20 mg |
4-Methoxyphenylacetic acid |
104-01-8 | >98% | 20mg |
$280.0 | 2022-03-01 | |
| S e l l e c k ZHONG GUO | S6273-25mg |
2-(4-Methoxyphenyl)acetic acid |
104-01-8 | 25mg |
¥794.88 | 2022-04-26 | ||
| TRC | M265780-10g |
4-Methoxyphenylacetic Acid |
104-01-8 | 10g |
$ 64.00 | 2023-09-07 | ||
| TRC | M265780-25g |
4-Methoxyphenylacetic Acid |
104-01-8 | 25g |
$ 86.00 | 2023-09-07 | ||
| TRC | M265780-100g |
4-Methoxyphenylacetic Acid |
104-01-8 | 100g |
$ 121.00 | 2023-09-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | M0742-100g |
4-Methoxyphenylacetic acid |
104-01-8 | 98.0%(GC&T) | 100g |
¥270.0 | 2022-05-30 |
4-Methoxyphenylacetic acid Suppliers
4-Methoxyphenylacetic acid Related Literature
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1. Studies on the successive anodic methoxylation of some ring-substituted phenylacetic acidsB. Wladislaw,H. Viertler J. Chem. Soc. B 1968 576
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2. Oxidative decarboxylation of 4-methoxyphenylacetic acid induced by potassium 12-tungstocobalt(iii)ate. The role of intramolecular electron transferEnrico Baciocchi,Massimo Bietti J. Chem. Soc. Perkin Trans. 2 2002 720
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Rebecca R. Chao,James J. De Voss,Stephen G. Bell RSC Adv. 2016 6 55286
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Rebecca R. Chao,James J. De Voss,Stephen G. Bell RSC Adv. 2016 6 55286
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Jing Guo,Gong-Bin Huang,Qiao-Lei Wu,Ying Xie,Jiang Weng,Gui Lu Org. Chem. Front. 2019 6 1955
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- Solvents and Organic Chemicals Organic Compounds Benzenoids Phenol ethers Anisoles
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Additional information on 4-Methoxyphenylacetic acid
Introduction to 4-Methoxyphenylacetic Acid (CAS No. 104-01-8)
4-Methoxyphenylacetic acid, with the chemical formula C?H?O? and CAS number 104-01-8, is a versatile organic compound that has garnered significant attention in the field of pharmaceuticals, agrochemicals, and material science. This compound, also known as 4-methoxybenzoic acid, is a derivative of phenylacetic acid and is characterized by the presence of a methoxy group (-OCH?) at the para position relative to the carboxylic acid functional group. Its unique structural properties make it a valuable intermediate in synthetic chemistry and a potential candidate for various biological applications.
The synthesis of 4-Methoxyphenylacetic acid can be achieved through several routes, including hydroxylation of methyl 4-methoxybenzoate, reduction of the corresponding nitrile, or oxidation of 4-methoxybenzyl alcohol. The choice of synthetic pathway often depends on the desired purity, yield, and scalability for industrial applications. Recent advancements in catalytic methods have improved the efficiency of these processes, making 4-Methoxyphenylacetic acid more accessible for large-scale production.
In pharmaceutical research, 4-Methoxyphenylacetic acid has been explored for its potential biological activities. Studies have indicated that this compound may exhibit anti-inflammatory, analgesic, and antioxidant properties. The methoxy group enhances its solubility in both polar and non-polar solvents, which is advantageous for drug formulation and delivery systems. Furthermore, its structural motif is found in several pharmacologically active molecules, suggesting that it could serve as a key scaffold for drug development.
One of the most promising areas of research involving 4-Methoxyphenylacetic acid is its role as a precursor in the synthesis of bioactive natural products. For instance, derivatives of this compound have been identified in certain plant extracts and marine organisms, where they contribute to defense mechanisms against pathogens. The growing interest in natural product-inspired drug design has spurred investigations into how modifications of 4-Methoxyphenylacetic acid can lead to novel therapeutic agents.
The agrochemical industry has also recognized the significance of 4-Methoxyphenylacetic acid as a building block for developing pesticides and herbicides. Its ability to interact with biological targets at the molecular level makes it a valuable component in designing compounds that can protect crops while minimizing environmental impact. Researchers are particularly interested in how structural variations of this molecule can enhance its efficacy and selectivity against pests.
Material science applications of 4-Methoxyphenylacetic acid are equally intriguing. This compound can be polymerized or incorporated into polymers to create materials with unique properties such as enhanced thermal stability or biodegradability. Such materials are increasingly sought after in industries ranging from packaging to medical devices, where sustainability and performance are critical factors.
Recent studies have delved into the mechanistic aspects of how 4-Methoxyphenylacetic acid interacts with biological systems. For example, computational modeling has helped researchers understand how this compound binds to enzymes and receptors at an atomic level. This knowledge is crucial for designing derivatives with improved pharmacokinetic profiles and reduced side effects. Additionally, green chemistry approaches have been employed to develop more environmentally friendly synthetic routes for producing 4-Methoxyphenylacetic acid, aligning with global efforts to reduce chemical waste and energy consumption.
The commercial availability of 4-Methoxyphenylacetic acid has been bolstered by advancements in chemical manufacturing technologies. High-throughput screening methods allow for rapid optimization of synthetic pathways, ensuring that producers can meet the growing demand from various industries. Furthermore, quality control measures have been refined to guarantee the purity and consistency of this compound across different batches.
In conclusion, 4-Methoxyphenylacetic acid (CAS No. 104-01-8) is a multifunctional compound with broad applications in pharmaceuticals, agrochemicals, and material science. Its unique structure and reactivity make it a valuable intermediate for synthesizing bioactive molecules and advanced materials. As research continues to uncover new uses for this compound, its importance in modern chemistry is likely to grow even further.
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