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TERT-BUTYL PROPIOLATE

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CAS:13831-03-3
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TERT-BUTYL PROPIOLATE manufacturers

  • TERT-BUTYL PROPIOLATE
  • TERT-BUTYL PROPIOLATE pictures
  • $41.00 / 5g
  • 2026-03-20
  • CAS:13831-03-3
  • Min. Order: 5g
  • Purity: 0.98
  • Supply Ability: 25kg
  • TERT-BUTYL PROPIOLATE
  • TERT-BUTYL PROPIOLATE pictures
  • $0.00 / 1KG
  • 2026-03-20
  • CAS:13831-03-3
  • Min. Order: 1KG
  • Purity: 99%
  • Supply Ability: 20 mt
  • tert-Butyl propiolate
  • tert-Butyl propiolate pictures
  • $15.00 / 1KG
  • 2021-07-13
  • CAS:13831-03-3
  • Min. Order: 1KG
  • Purity: 99%+ HPLC
  • Supply Ability: Monthly supply of 1 ton
TERT-BUTYL PROPIOLATE Basic information
Product Name:TERT-BUTYL PROPIOLATE
Synonyms:Propargylic Acid tert-Butyl Ester Propiolic Acid tert-Butyl Ester;tert-butyl prop-2-ynoate;Propynoic acid tert-butyl ester;2-Propynoic acid,1,1-diMethylethyl ester;PROPARGYLIC ACID TERT-BUTYL ESTER;PROPIOLIC ACID TERT-BUTYL ESTER;TERT-BUTYL ACETYLENECARBOXYLATE;TERT-BUTYL PROPIOLATE
CAS:13831-03-3
MF:C7H10O2
MW:126.15
EINECS:
Product Categories:Building Blocks;C6 to C7;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks;Acetylenes;Acetylenic Carboxylic Acids & Their Derivatives
Mol File:13831-03-3.mol
TERT-BUTYL PROPIOLATE Structure
TERT-BUTYL PROPIOLATE Chemical Properties
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 n20/D 1.418(lit.)
Fp 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
InChIInChI=1S/C7H10O2/c1-5-6(8)9-7(2,3)4/h1H,2-4H3
InChIKeyXGTPDIIFEPTULX-UHFFFAOYSA-N
SMILESC(OC(C)(C)C)(=O)C#C
CAS DataBase Reference13831-03-3(CAS DataBase Reference)
Safety Information
Hazard Codes Xi
Risk Statements 10-36/37/38
Safety Statements 26-36/37/39
RIDADR UN 3272 3/PG 3
WGK Germany 3
4.5-10-23
HazardClass 3.1
PackingGroup II
HS Code 29161995
Storage Class3 - Flammable liquids
Hazard ClassificationsEye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
SigmaAldrich English
TERT-BUTYL PROPIOLATE Usage And Synthesis
UsesTERT-BUTYL PROPIOLATE is used to prepare heterocycles,1,2 alkaloids,3 and unsaturated amino acids.4
Usestert-Butyl propiolate may be used in the preparation of heterocycles, alkaloids, and unsaturated amino acids.
General Descriptiontert-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
Propiolic Acid

471-25-0

tert-Butanol

75-65-0

TERT-BUTYL PROPIOLATE

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
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