Ethyl phenylcyanoacetate
- CAS No.
- 4553-07-5
- Chemical Name:
- Ethyl phenylcyanoacetate
- Synonyms
- ETHYL 2-CYANO-2-PHENYLACETATE;RARECHEM AK ML 0109;Ethyl cyanophenylacetate;Ethyl phenylcyanoacetate;Phenylethylcyanoacetamide;EthylPhenylcyanoacetate>Ethylphenylcyanoacetate,98%;Ethyl phenylcyanoacetate 95%;Ethyl phenylcyanoacetate,97%;Ethylphenylcyanoaceicacidester
- CBNumber:
- CB4715751
- Molecular Formula:
- C11H11NO2
- Molecular Weight:
- 189.21
- MDL Number:
- MFCD00001866
- MOL File:
- 4553-07-5.mol
- MSDS File:
- SDS
| Melting point | 115-116 °C |
|---|---|
| Boiling point | 275 °C (lit.) |
| Density | 1.09 g/mL at 25 °C (lit.) |
| refractive index | 1.5033-1.5053 |
| Flash point | >110°C |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | Chloroform, DMSO, Methanol (Slightly) |
| form | Liquid |
| color | Clear colorless to light yellow |
| BRN | 611232 |
| InChI | 1S/C11H11NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3 |
| InChIKey | SXIRJEDGTAKGKU-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(C#N)c1ccccc1 |
| CAS DataBase Reference | 4553-07-5(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302+H312+H332-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 20/21-36/37/38-20/21/22 | |||||||||
| Safety Statements | 23-37/39-26 | |||||||||
| RIDADR | UN3276 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29269095 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704 |
|
Ethyl phenylcyanoacetate price More Price(43)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | E45201 | Ethyl phenylcyanoacetate 95% | 4553-07-5 | 5g | $59.5 | 2023-06-20 | Buy |
| TCI Chemical | P1255 | Ethyl Phenylcyanoacetate >95.0%(GC) | 4553-07-5 | 5g | $49 | 2026-04-30 | Buy |
| TCI Chemical | P1255 | Ethyl Phenylcyanoacetate >95.0%(GC) | 4553-07-5 | 25g | $196 | 2026-04-30 | Buy |
| TRC | TRC-E926005-5G | Ethyl Phenylcyanoacetate | 4553-07-5 | 5g | $122 | 2026-06-03 | Buy |
| TRC | TRC-E926005-1G | Ethyl Phenylcyanoacetate | 4553-07-5 | 1g | $65 | 2026-06-03 | Buy |
Ethyl phenylcyanoacetate Chemical Properties,Uses,Production
Chemical Properties
clear colorless to light yellow liquid
Uses
Ethyl phenylcyanoacetateis a reagent used for the asymmetric synthesis of(-)-manzacidin A.It is also a useful reagent for C-C bond formation by conjugate additions with vinyl sulfones.
Definition
ChEBI: An alpha-substituted cyanoacetate ester that consists of ethyl cyanoacetate bearing an alpha-phenyl substituent.
Synthesis Reference(s)
Journal of the American Chemical Society, 64, p. 576, 1942 DOI: 10.1021/ja01255a033
Organic Syntheses, Coll. Vol. 4, p. 461, 1963
Synthesis, p. 67, 1983
References
[1] Patent: EP1688424, 2006, A1. Location in patent: Page/Page column 64
[2] Patent: EP1688424, 2006, A1. Location in patent: Page/Page column 87
[3] Patent: EP1688424, 2006, A1. Location in patent: Page/Page column 100
[4] Patent: EP1688424, 2006, A1. Location in patent: Page/Page column 100-101
Ethyl phenylcyanoacetate Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
Ethyl phenylcyanoacetate Suppliers
| 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 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
| Tianjin heowns Biochemical Technology Co., Ltd. | 400 638 7771 | sales@heowns.com | China | 14412 | 57 |
| Aemon Chemical | 0086-755-86198205 | acinfo@aemonchem.com | China | 1928 | 57 |
| Beijing Taiya Jie Technology Development Co., Ltd. | 021-33690831-8001 13552411790;18616022633 | postmaster@tyjchem.cn | China | 1541 | 55 |
| Thermo Fisher Scientific | 800-810-5118 | cnchemical@thermofisher.com | China | 17752 | 75 |
