tert-Butyl propiolate
- CAS No.
- 13831-03-3
- Chemical Name:
- tert-Butyl propiolate
- Synonyms
- tert-butyl prop-2-ynoate;1,1-Dimethylethyl 2-propynoate;141008;ert-Butylpropiolate;tert-Butyl propiolate;tert-Butyl Propargylate;Propiolicacidbutylester;tert-ButylPropiolate>tert-Butyl 2-propynoate;tert-Butyl propiolate
- CBNumber:
- CB2445906
- Molecular Formula:
- C7H10O2
- Molecular Weight:
- 126.15
- MDL Number:
- MFCD00060100
- MOL File:
- 13831-03-3.mol
- MSDS File:
- SDS
| Melting point | 18-20 °C (lit.) |
|---|---|
| Boiling point | 52-53 °C/27 mmHg (lit.) |
| Density | 0.919 g/mL at 25 °C (lit.) |
| refractive index |
n |
| Flash point | 82 °F |
| storage temp. | Keep in dark place,Inert atmosphere,2-8°C |
| form | Liquid |
| color | Clear colorless to yellow |
| Sensitive | Air Sensitive |
| BRN | 1747175 |
| InChI | InChI=1S/C7H10O2/c1-5-6(8)9-7(2,3)4/h1H,2-4H3 |
| InChIKey | XGTPDIIFEPTULX-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)C#C |
| CAS DataBase Reference | 13831-03-3(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226-H315-H319-H335 | |||||||||
| Precautionary statements | P210-P233-P240-P241-P303+P361+P353-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 10-36/37/38 | |||||||||
| Safety Statements | 26-36/37/39 | |||||||||
| RIDADR | UN 3272 3/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 4.5-10-23 | |||||||||
| HazardClass | 3.1 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29161995 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |
|||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704 |
|
tert-Butyl propiolate price More Price(52)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 419885 | tert-Butyl propiolate 98% | 13831-03-3 | 1g | $156 | 2026-04-30 | Buy |
| TCI Chemical | P1038 | tert-Butyl Propiolate >98.0%(GC) | 13831-03-3 | 5g | $181 | 2026-04-30 | Buy |
| TCI Chemical | P1038 | tert-Butyl Propiolate >98.0%(GC) | 13831-03-3 | 25g | $525 | 2026-04-30 | Buy |
| Biosynth | FT76489 | tert-Butyl propiolate | 13831-03-3 | 0.025kg | $389.4 | 2026-06-04 | Buy |
| Biosynth | FT76489 | tert-Butyl propiolate | 13831-03-3 | 0.05kg | $649 | 2026-06-04 | Buy |
tert-Butyl propiolate Chemical Properties,Uses,Production
Uses
TERT-BUTYL PROPIOLATE is used to prepare heterocycles,1,2 alkaloids,3 and unsaturated amino acids.4
Uses
tert-Butyl propiolate may be used in the preparation of heterocycles, alkaloids, and unsaturated amino acids.
General Description
tert-Butyl propiolate is an ester. It reacts with methimazole to afford tert-butyl (E)-3-(1-methyl-1H-imidazol-2-ylthio) acrylate. Crystallographic data for the lithium enolate of tert-butyl propiolate has been described..
Synthesis
471-25-0
75-65-0
13831-03-3
General procedure for the synthesis of tert-butyl propargylate from propargyl acid and tert-butanol: About 60 g of propargyl acid, about 100 g of N,N'-dicyclohexylcarbodiimide, about 10 g of 4-(dimethylamino)pyridine, and about 20 g of tert-butanol were dissolved in tetrahydrofuran, and the reaction was stirred for about 24 hours. Upon completion of the reaction, extraction was carried out with dichloromethane and water. The extracted organic layer was dried with a chemical desiccant and subsequently purified by column chromatography to give about 80 g of tert-butyl propargylate.
References
[1] Patent: JP2016/533394, 2016, A. Location in patent: Paragraph 0103
[2] Organic Letters, 2018, vol. 20, # 13, p. 4023 - 4027
tert-Butyl propiolate Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Youd Chemical Technology Co., Ltd. | 021-37910092 15821801668 | cong44@126.com | China | 286 | 58 |
| 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 |
| Jia Xing Isenchem Co.,Ltd | 0573-85285100 18627885956 | isenchem@163.com | China | 9389 | 66 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| China DongFan Chemical Co.,LTD | 86-0571-85151182 | China | 5681 | 66 |
View Lastest Price from tert-Butyl propiolate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-09-11 | TERT-BUTYL PROPIOLATE
13831-03-3
|
$41.00-504.00 | 5g | 0.98 | 25kg | Shanghai UCHEM Inc. | |
 |
2026-06-30 | TERT-BUTYL PROPIOLATE
13831-03-3
|
1kg | 98% | 1000kg | Shaanxi Dideu New Materials Co. Ltd | ||
 |
2026-03-20 | TERT-BUTYL PROPIOLATE
13831-03-3
|
1KG | 99% | 20 mt | Hebei Chuanghai Biotechnology Co., Ltd |
-
- TERT-BUTYL PROPIOLATE
13831-03-3
- $41.00-504.00
- 0.98
- Shanghai UCHEM Inc.
-
- TERT-BUTYL PROPIOLATE
13831-03-3
- $0.00
- 98%
- Shaanxi Dideu New Materials Co. Ltd
-
- TERT-BUTYL PROPIOLATE
13831-03-3
- 99%
- Hebei Chuanghai Biotechnology Co., Ltd
