TERT-BUTYL PROPIOLATE

Base Information

• Chemical Name: TERT-BUTYL PROPIOLATE
• CAS No.: 13831-03-3
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• Hs Code.: 29161995
• Mol file: 13831-03-3.mol

Synonyms:Propiolicacid, tert-butyl ester (6CI,8CI);2-Propynoic acid tert-butyl ester;Propiolicacid tert-butyl ester;tert-Butoxycarbonylacetylene;tert-Butyl propynoate;

Chemical Property of TERT-BUTYL PROPIOLATE

Chemical Property:

• Vapor Pressure: 2.48mmHg at 25°C
• Melting Point: 18-20 °C(lit.)
• Refractive Index: n20/D 1.418(lit.)
• Boiling Point: 159.597 °C at 760 mmHg
• Flash Point: 38.638 °C
• PSA: 26.30000
• Density: 0.96 g/cm³
• LogP: 0.96130
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl Propiolate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: TERT-BUTYL PROPIOLATE is used to prepare heterocycles,1,2 alkaloids,3 and unsaturated amino acids.4 tert-Butyl propiolate may be used in the preparation of heterocycles, alkaloids, and unsaturated amino acids.

Technology Process of TERT-BUTYL PROPIOLATE

There total 3 articles about TERT-BUTYL PROPIOLATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 74.0%

isobutene (115-11-7,15220-85-6) + Propiolic acid (471-25-0) → tert-butyl prop-2-ynoate (13831-03-3)

Guidance literature:

With sulfuric acid; In diethyl ether; at -78 - 20 ℃;

DOI:10.1039/b407558g

Reference yield:

Propiolic acid (471-25-0) + tert-butyl alcohol (75-65-0) → tert-butyl prop-2-ynoate (13831-03-3)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran; for 24h;

Reference yield:

acetic acid tert-butyl ester (540-88-5) + Propiolic acid (471-25-0) → tert-butyl prop-2-ynoate (13831-03-3)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1039/c5cc04538j

upstream raw materials:

isobutene

Propiolic acid

acetic acid tert-butyl ester

tert-butyl alcohol

Downstream raw materials:

benzene-1,3,5-tricarboxylic acid tri-tert-butyl ester

Refernces

• 1、 -. "Polymerizable liquid crystal compound, an optical film and the liquid crystal composition containing the same". Paragraph 0103. . Retrieved 2017/01/05.
• 2、 Bunnage, Mark E.,Davies, Stephen G.,Roberts, Paul M.,Smith, Andrew D.,Withey, Jonathan M.. "Asymmetric synthesis of the cis- And trans-stereoisomers of 4-aminopyrrolidine-3-carboxylic acid and 4-aminotetrahydrofuran-3-carboxylic acid". . p. 2763 - 2776. Retrieved 2007/10/03.