Ethyl isocyanoacetate
- CAS No.
- 2999-46-4
- Chemical Name:
- Ethyl isocyanoacetate
- Synonyms
- Ethyl 2-isocyanoacetate;Isocyanoacetate;2-Oxo-2-ethoxyethyl isocyanide;eica;HANSA ISN-0528;eica cas2999-46-4;BIO-FARMA BF001872;IsocyanicAcidEster;ethyl isocyanzacetate;ETHYL ISOCYANOACETATE
- CBNumber:
- CB7209404
- Molecular Formula:
- C5H7NO2
- Molecular Weight:
- 113.11
- MDL Number:
- MFCD00000007
- MOL File:
- 2999-46-4.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| Ethyl isocyanoacetate 95% | 226319 | 5g | $129 |
| Ethyl isocyanoacetate 95% | 226319 | 25g | $280 |
| Ethyl Isocyanoacetate >97.0%(GC) | I0562 | 5g | $86 |
| Ethyl Isocyanoacetate >97.0%(GC) | I0562 | 25g | $296 |
| Ethyl isocyanoacetate | E921325 | 25g | $275 |
| More product size | |||
| Boiling point | 194-196 °C (lit.) |
|---|---|
| Density | 1.035 g/mL at 25 °C (lit.) |
| vapor pressure | 61.7Pa at 25℃ |
| refractive index |
n |
| Flash point | 184 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform, Methanol (Slightly) |
| form | Liquid |
| color | Clear amber to dark brown |
| Water Solubility | Miscible with organic solvents. Slightly miscible with water. |
| Sensitive | Moisture & Light Sensitive |
| BRN | 3588613 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| InChI | 1S/C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3 |
| InChIKey | FPULFENIJDPZBX-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C[N+]#[C-] |
| LogP | 0.91 at 25℃ |
| CAS DataBase Reference | 2999-46-4(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302+H332 | |||||||||
| Precautionary statements | P261-P264-P270-P271-P301+P312-P304+P340+P312 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 20/22-20/21/22 | |||||||||
| Safety Statements | 36/37/39-26-36/37-24/25 | |||||||||
| RIDADR | UN 2810 6.1/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 8-9-21 | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29299090 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| Hazard Classifications | Acute Tox. 4 Inhalation Acute Tox. 4 Oral |
|||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704 |
|
Ethyl isocyanoacetate price More Price(19)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 226319 | Ethyl isocyanoacetate 95% | 2999-46-4 | 5g | $129 | 2025-07-31 | Buy |
| Sigma-Aldrich | 226319 | Ethyl isocyanoacetate 95% | 2999-46-4 | 25g | $280 | 2025-07-31 | Buy |
| TCI Chemical | I0562 | Ethyl Isocyanoacetate >97.0%(GC) | 2999-46-4 | 5g | $86 | 2025-07-31 | Buy |
| TCI Chemical | I0562 | Ethyl Isocyanoacetate >97.0%(GC) | 2999-46-4 | 25g | $296 | 2025-07-31 | Buy |
| TRC | E921325 | Ethyl isocyanoacetate | 2999-46-4 | 25g | $275 | 2021-12-16 | Buy |
Ethyl isocyanoacetate Chemical Properties,Uses,Production
Chemical Properties
Light yellow to brom liquid. Slightly soluble in water and lye, miscible in ethanol and ether.
Uses
Ethyl Isocyanoacetate, is a cyclization synthon used to prepare pyrroles, oxazolines, benzodiazepines, oxazoles and imidazoles. Ethyl isocyanoacetate can be used to prepare pyrroles,1,2 oxazolines, benzodiazepines, oxazoles and imidazoles.
Uses
Ethyl isocyanoacetate is used in the syntheses of 7-aza-tetrahydroindoles, oxazolines, benzodiazepines, imidazoles and oxazoles. For example, it is involved in the synthesis of 1H-indole-2-carboxylate by condensing with 2-bromo benzenealdehyde using CuI as a catalyst. It is a precursor used in the preparation of ethyl thiazole-4-carboxylate upon reaction with O-ethyl thioformate.
Preparation
synthesis of ethyl isocyanoacetate
A solution containing N-formyl glycine ethyl ester (1, 1.31 g, 10 mmol), DIPEA (2.62 g, 20 mmol) and DMAP (0.45 g, 3 mmol) in dry DCM (10 mL) was loaded in a sample loop and combined with a second stream containing triphosgene (2, 0.98 g, 3.3 mmol) also dissolved in dry DCM (10 mL) at individual channel flow rates of 0.5 mL/min. The combined stream was directed into two linked 10 mL FEP reactor vessels to achieve a 20 minutes residence time at ambient temperature. The output was collect and the solvent was carefully evaporated to 80% of its total volume. The crude material was filtered through silica (5 g) and washed with DCM (2 × 10 mL) to obtain the salt-free product. The desired product 3 was obtained as dark yellow oil after evaporation of the organic phase (1.03 g, 91 % isolated yield, >97% purity by 1H NMR).
General Description
Material may darken upon storage
Ethyl isocyanoacetate Preparation Products And Raw materials
Raw materials
Preparation Products
1of2
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Frapp's ChemicalNFTZ Co., Ltd. | +86 (576) 8169-6106 | sales@frappschem.com | China | 880 | 50 |
| Capot Chemical Co.,Ltd. | +86-（0）57185586718; +8613336195806 | sales@capot.com | China | 29735 | 60 |
| Beijing Cooperate Pharmaceutical Co.,Ltd | 010-60279497 | sales01@cooperate-pharm.com | CHINA | 1803 | 55 |
| Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | info@tianfuchem.com | China | 21597 | 55 |
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | ivan@atkchemical.com | China | 33024 | 60 |
| Zhejiang ZETian Fine Chemicals Co. LTD | +8618957127338 | stella@zetchem.com | China | 2994 | 58 |
| SHANDONG ZHI SHANG CHEMICAL CO.LTD | +86 18953170293 | sales@sdzschem.com | China | 1497 | 58 |
| Jinan Carbotang Biotech Co.,Ltd. | +8615866703830 | figo.gao@foxmail.com | China | 8497 | 58 |
| Xiamen AmoyChem Co., Ltd | +86-86-5926051114 +8615060885618 | sales@amoychem.com | China | 6369 | 58 |
| Hubei xin bonus chemical co. LTD | 86-13657291602 | linda@hubeijusheng.com | CHINA | 22963 | 58 |
View Lastest Price from Ethyl isocyanoacetate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2023-08-31 | Ethyl isocyanoacetate
2999-46-4
|
US $100.00 / drum | 1drum | 99 | 5000 | Hebei Fengqiang Trading Co., LTD | |
 |
2021-07-13 | Ethyl isocyanoacetate
2999-46-4
|
US $15.00-10.00 / KG | 1KG | 99%+ HPLC | Monthly supply of 1 ton | Zhuozhou Wenxi import and Export Co., Ltd | |
 |
2021-07-10 | Ethyl isocyanoacetate
2999-46-4
|
US $15.00-10.00 / KG | 1KG | 99%+ HPLC | Monthly supply of 1 ton | Zhuozhou Wenxi import and Export Co., Ltd |
-
- Ethyl isocyanoacetate
2999-46-4
- US $100.00 / drum
- 99
- Hebei Fengqiang Trading Co., LTD
-
- Ethyl isocyanoacetate
2999-46-4
- US $15.00-10.00 / KG
- 99%+ HPLC
- Zhuozhou Wenxi import and Export Co., Ltd
-
- Ethyl isocyanoacetate
2999-46-4
- US $15.00-10.00 / KG
- 99%+ HPLC
- Zhuozhou Wenxi import and Export Co., Ltd
