Cas no 13388-75-5 ((3,5-Dimethoxyphenyl)acetonitrile)
(3,5-Dimethoxyphenyl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- (3,5-Dimethoxyphenyl)acetonitrile
- 3,5-Dimethoxyphenylacetonitrile
- 2-(3,5-Dimethoxyphenyl)acetonitrile
- 3,5-Dimethoxybenzeneacetonitrile
- 3,5-DIMETHOXY-BENZENEACETONITRILE
- 3,5-Dimethoxybenzyl Cyanide
- NSC 245126
- HOMOVERATONITRILE
- TIMTEC-BB SBB005899
- 5-DiMethoxyphenylacetonitrile
- Benzeneacetonitrile,3,5-dimethoxy-
- (3,5-DiMethoxyphenyl)acetonitrile 97%
- 3,5-Dimethoxyphenylacetonitrile, 98+%
- Benzeneacetonitrile, 3,5-dimethoxy-
- 3,5-(dimethoxyphenyl)acetonitrile
- 2-(3,5-dimethoxyphenyl)ethanenitrile
- NSC245126
- PubChem16207
- 3,5-dimethoxybenzylcyanide
- BEN097
- 3,5-di methoxyphenylacetonitrile
- UUNRWZQWCNTSCV-UHFFFAOYSA-N
- 3,4-Di
- (3,5-Dimethoxyphenyl)acetonitrile, 97%
- Z1203161909
- FS-1541
- AKOS005207122
- 2-(3,5-dimethoxyphenyl)acetonitrile;(3,4-Dimethoxyphenyl)acetonitrile
- (3,5-dimethoxyphenyl)-acetonitrile
- CS-W008471
- (3,5-Dimethoxyphenyl) acetonitrile
- FT-0614647
- D5186
- (3,5-dimethoxy-phenyl)-acetonitrile
- DTXSID50158409
- EN300-132497
- SCHEMBL1046247
- Benzeneacetonitrile,3,5-dimethoxy-;2-(3,5-dimethoxyphenyl)acetonitrile;5-DiMethoxyphenylacetonitrile
- A24716
- 2-(3,5-dimethoxyphenyl)-acetonitrile
- SY012006
- AC-30150
- AA-504/07219022
- NSC-245126
- AM20020410
- A844467
- J-501107
- 13388-75-5
- MFCD00016395
- 3,5-Dimethoxy-benzeneacetonitrile; 3,5-Dimethoxybenzyl Cyanide; NSC 245126
- doi:10.14272/UUNRWZQWCNTSCV-UHFFFAOYSA-N.1
- DB-022086
- DB-049939
- DTXCID5080900
-
- MDL: MFCD00016395
- Inchi: 1S/C10H11NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3H2,1-2H3
- InChI Key: UUNRWZQWCNTSCV-UHFFFAOYSA-N
- SMILES: O(C)C1C=C(C=C(CC#N)C=1)OC
- BRN: 2096481
Computed Properties
- Exact Mass: 177.07900
- Monoisotopic Mass: 177.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 184
- 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
- Topological Polar Surface Area: 42.2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.5
Experimental Properties
- Color/Form: White solid
- Density: 1.082±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 54.0 to 58.0 deg-C
- Boiling Point: 316.7±27.0 oC (760 Torr),
- Flash Point: Degrees Fahrenheit:>230°F
Degrees Celsius:>110°C - Refractive Index: 1.511
- Solubility: Slightly soluble (1.2 g/l) (25 o C),
- PSA: 42.25000
- LogP: 1.76988
- Solubility: Not determined
(3,5-Dimethoxyphenyl)acetonitrile Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H302+H312+H332-H315-H319
- Warning Statement: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- Hazardous Material transportation number:3439
- WGK Germany:3
- Hazard Category Code: 22
- Safety Instruction: S36/37
-
Hazardous Material Identification:
- Packing Group:III
- Hazard Level:6.1
- HazardClass:6.1
- PackingGroup:III
- Storage Condition:Store at room temperature
- Risk Phrases:R20/21/22
- Packing Group:III
- Safety Term:6.1
(3,5-Dimethoxyphenyl)acetonitrile Customs Data
- HS CODE:2926909090
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
(3,5-Dimethoxyphenyl)acetonitrile 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. | D138164-1g |
(3,5-Dimethoxyphenyl)acetonitrile |
13388-75-5 | ≥98% | 1g |
¥41.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D138164-5g |
(3,5-Dimethoxyphenyl)acetonitrile |
13388-75-5 | ≥98% | 5g |
¥153.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D138164-25g |
3,5-Dimethoxyphenylacetonitrile |
13388-75-5 | ≥98% | 25g |
¥997.00 | 2021-05-21 | |
| Fluorochem | 018595-1g |
3,5-Dimethoxyphenylacetonitrile |
13388-75-5 | 96% | 1g |
£18.00 | 2022-03-01 | |
| Fluorochem | 018595-5g |
3,5-Dimethoxyphenylacetonitrile |
13388-75-5 | 96% | 5g |
£51.00 | 2022-03-01 | |
| Fluorochem | 018595-10g |
3,5-Dimethoxyphenylacetonitrile |
13388-75-5 | 96% | 10g |
£97.00 | 2022-03-01 | |
| Fluorochem | 018595-25g |
3,5-Dimethoxyphenylacetonitrile |
13388-75-5 | 96% | 25g |
£205.00 | 2022-03-01 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R000071-1g |
(3,5-Dimethoxyphenyl)acetonitrile |
13388-75-5 | 98% | 1g |
¥32 | 2024-05-26 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R000071-5g |
(3,5-Dimethoxyphenyl)acetonitrile |
13388-75-5 | 98% | 5g |
¥143 | 2024-05-26 | |
| TRC | D460585-500mg |
(3,5-Dimethoxyphenyl)acetonitrile |
13388-75-5 | 500mg |
$ 58.00 | 2023-09-07 |
(3,5-Dimethoxyphenyl)acetonitrile Suppliers
(3,5-Dimethoxyphenyl)acetonitrile Related Literature
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Chiara Zanato,Alessia Pelagalli,Katie F. M. Marwick,Monica Piras,Sergio Dall'Angelo,Andrea Spinaci,Roger G. Pertwee,David J. A. Wyllie,Giles E. Hardingham,Matteo Zanda Org. Biomol. Chem. 2017 15 2086
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2. Synthesis of methyl tri-O-methylptilometrate (methyl 1,6,8-trimethoxy-3-propylanthraquinone-2-carboxylate)Joseph K. K. Lam,Melvyn V. Sargent J. Chem. Soc. Perkin Trans. 1 1974 1417
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3. Studies in mycological chemistry. Part XXIX. Total synthesis of (±)-O-methylaversin [(±)-tri-O-methylversicolorin B]: the structure of aversinG. M. Holmwood,John C. Roberts J. Chem. Soc. C 1971 3899
Related Categories
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Dimethoxybenzenes
- Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Methoxybenzenes Dimethoxybenzenes
- Solvents and Organic Chemicals Organic Compounds cyanides/Cyanides
Additional information on (3,5-Dimethoxyphenyl)acetonitrile
Introduction to (3,5-Dimethoxyphenyl)acetonitrile and Its Significance in Modern Chemical Research
Chemical compounds play a pivotal role in the advancement of pharmaceuticals, agrochemicals, and materials science. Among these, (3,5-Dimethoxyphenyl)acetonitrile, with the CAS number 13388-75-5, has emerged as a compound of considerable interest due to its versatile applications and structural properties. This introduction delves into the compound's characteristics, its synthesis, and its emerging roles in contemporary research.
The molecular structure of (3,5-Dimethoxyphenyl)acetonitrile consists of a phenyl ring substituted with two methoxy groups at the 3rd and 5th positions, coupled with a nitrile group at the 1st position. This unique arrangement imparts distinct chemical reactivity, making it a valuable intermediate in organic synthesis. The presence of electron-donating methoxy groups enhances the electrophilicity of the aromatic ring, facilitating various coupling reactions such as Suzuki-Miyaura and Heck reactions.
In recent years, the compound has garnered attention for its role in the synthesis of bioactive molecules. Researchers have leveraged its structural framework to develop novel pharmaceuticals targeting various therapeutic areas. For instance, derivatives of (3,5-Dimethoxyphenyl)acetonitrile have been explored as potential inhibitors in cancer research. The nitrile group can be further functionalized to introduce additional pharmacophores, enhancing binding affinity to biological targets. Preliminary studies suggest that certain analogs exhibit promising anti-proliferative effects on cancer cell lines.
The synthesis of (3,5-Dimethoxyphenyl)acetonitrile typically involves the nitrileation of 3,5-dimethoxybenzaldehyde using appropriate cyanating agents under controlled conditions. Advanced synthetic methodologies have improved yield and purity, making it more accessible for large-scale applications. Catalytic processes, including transition metal-catalyzed reactions, have been optimized to minimize byproducts and enhance efficiency.
Beyond pharmaceutical applications, (3,5-Dimethoxyphenyl)acetonitrile finds utility in materials science. Its aromatic structure and functional groups make it a suitable precursor for designing advanced polymers and liquid crystals. These materials exhibit unique optical and electronic properties, which are crucial for developing next-generation display technologies and organic semiconductors.
The compound's stability under various conditions has also been a subject of investigation. Studies have shown that it maintains its integrity under mild acidic and basic environments, suggesting potential use in harsh industrial processes. Furthermore, its solubility profile in common organic solvents makes it adaptable for diverse synthetic protocols.
Recent research has also explored the environmental impact of (3,5-Dimethoxyphenyl)acetonitrile. Efforts have been directed towards developing greener synthetic routes that reduce waste and energy consumption. Biocatalytic methods using enzymes have shown promise in converting this compound into valuable intermediates with minimal environmental footprint.
In conclusion, (3,5-Dimethoxyphenyl)acetonitrile (CAS no. 13388-75-5) is a multifaceted compound with significant implications in pharmaceuticals and materials science. Its unique structural features enable diverse applications, from drug development to advanced material design. As research continues to uncover new methodologies for its synthesis and utilization, its importance in modern chemical science is poised to grow further.
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