Methyl 4-(cyanoacetyl)benzoate
- CAS No.
- 69316-08-1
- Chemical Name:
- Methyl 4-(cyanoacetyl)benzoate
- Synonyms
- Methyl 4-(cyanoacetyl);Methyl 4-(cyanoacetyl)benzoate;METHYL-P-(CYANO-ACETYL)BENZOATE;METHYL 4-(2-CYANOACETYL)BENZOATE;Methyl 4-(cyanoacetyl)benzoate,98%;Methyl 4-(cyanoacetyl)benzoate 98%;4-METHOXYCARBONYLBENZOYLACETONITRILE;4-(Cyanoacetyl)benzoicacidmethylester;p-(Cyanoacetyl)benzoic acid methyl ester;4-(2-Cyanoacetyl)benzoic acid methyl ester
- CBNumber:
- CB8299488
- Molecular Formula:
- C11H9NO3
- Molecular Weight:
- 203.19
- MDL Number:
- MFCD00015378
- MOL File:
- 69316-08-1.mol
- MSDS File:
- SDS
| Melting point | 171-173 °C (lit.) |
|---|---|
| Boiling point | 341.49°C (rough estimate) |
| Density | 1.2621 (rough estimate) |
| refractive index | 1.4950 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | solid |
| pka | 7.01±0.10(Predicted) |
| Appearance | Off-white to light yellow Solid |
| InChI | 1S/C11H9NO3/c1-15-11(14)9-4-2-8(3-5-9)10(13)6-7-12/h2-5H,6H2,1H3 |
| InChIKey | CTZGTFNYYYZXTE-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(cc1)C(=O)CC#N |
| UNSPSC Code | 12352100 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| target organs | Respiratory system |
| PPE | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HS Code | 29269095 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
Methyl 4-(cyanoacetyl)benzoate price More Price(29)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Apolloscientific | OR322117 | Methyl 4-(cyanoacetyl)benzoate 96% | 69316-08-1 | 100mg | $21 | 2026-06-04 | Buy |
| Apolloscientific | OR322117 | Methyl 4-(cyanoacetyl)benzoate 96% | 69316-08-1 | 250mg | $24 | 2026-06-04 | Buy |
| Apolloscientific | OR322117 | Methyl 4-(cyanoacetyl)benzoate 96% | 69316-08-1 | 1g | $36 | 2026-06-04 | Buy |
| Apolloscientific | OR322117 | Methyl 4-(cyanoacetyl)benzoate 96% | 69316-08-1 | 5g | $49 | 2026-06-04 | Buy |
| Activate Scientific | AS48604 | Methyl 4-(cyanoacetyl)benzoate 98% | 69316-08-1 | 1g | $27 | 2026-06-04 | Buy |
Methyl 4-(cyanoacetyl)benzoate Chemical Properties,Uses,Production
Chemical Properties
BEIGE FLAKY CRYSTALS
Uses
Methyl 4-(cyanoacetyl)benzoate may be used in chemical synthesis.
General Description
Methyl 4-(cyanoacetyl)benzoate (Methyl 4-(2-cyanoacetyl)benzoate) is an ester. Its various physical properties such as density, refractive index, melting point and boiling point have been reported.
Synthesis
7377-26-6
372-09-8
69316-08-1
General procedure for the synthesis of methyl 4-carbonitrile acetylbenzoate from methyl 4-chlorocarbonylbenzoate and cyanoacetic acid: cyanoacetic acid (1.7 g, 20 mmol, 2 eq.), MgSO4 (0.2 mg), and 2,2'-bipyridine (ca. 1 mg) were dissolved in tetrahydrofuran (100 mL), and the mixture was transferred to a three-necked flask containing a 500-mL three-necked flask that was equipped with two dropping funnels and a mechanical stirrer. The system was flushed with nitrogen and cooled to -78°C in a dry ice/acetone bath. A n-butyllithium solution (25 mL, 1.6 M hexane solution; 40 mmol, 4 eq.) was slowly added through the dropping funnel with stirring. When the solution took on a slight purple color, stirring was continued for 30 min, followed by the addition of a 5 mL methanol solution of methyl 4-chlorocarbonylbenzoate (10 mmol, 1 eq.) dropwise under stirring. During this process, the cloudy solution changed to yellow color. The reaction mixture was continued to be stirred at -78 °C for 1 h. Subsequently, the cooling bath was removed and the reaction was allowed to slowly warm up to room temperature and held for 1 h. The reaction was then allowed to warm up to room temperature and held for 1 h. The reaction was allowed to warm up to room temperature. A 1 M HCl solution (50 mL) was added dropwise, at which point the reaction solution became clear but remained yellow. Water (25 mL) and dichloromethane (50 mL) were added and the aqueous layer was extracted three times with the same volume of dichloromethane. The organic layers were combined, washed with saturated sodium bicarbonate solution (50 mL x 2), dried over magnesium sulfate, filtered, and concentrated on a rotary evaporator. Purification by fast chromatography (hexane:ethyl acetate=6:1) gave the target product in 50-80% yield.
References
[1] Tetrahedron Letters, 2011, vol. 52, # 19, p. 2440 - 2442
Methyl 4-(cyanoacetyl)benzoate Preparation Products And Raw materials
Raw materials
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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Thermo Fisher Scientific | 800-810-5118 | cnchemical@thermofisher.com | China | 17752 | 75 |
| Shanghai Raise Chemical Technology Co.,Ltd | +86-021-50935922 | China | 7854 | 55 | |
| Amatek Scientific Co. Ltd. | 0512-56316828 4008675858 | sales@amateksci.com | China | 9849 | 55 |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
| Sigma-Aldrich | 021-61415566 800-8193336 | orderCN@merckgroup.com | China | 51389 | 80 |
| Changzhou Anxuan Chemical, Co., Ltd. | 13912302692 | sales@anxuanchem.com | China | 4824 | 58 |
View Lastest Price from Methyl 4-(cyanoacetyl)benzoate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2020-01-13 | METHYL 4-(CYANOACETYL)BENZOATE
69316-08-1
|
$1.00 | 1KG | 85.0-99.8% | 200kgs | Career Henan Chemical Co |
-
- METHYL 4-(CYANOACETYL)BENZOATE
69316-08-1
- $1.00
- 85.0-99.8%
- Career Henan Chemical Co
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