2,2-DIMETHYL-BUT-3-YNOIC ACID BENZYL ESTER

Base Information

• Chemical Name: 2,2-DIMETHYL-BUT-3-YNOIC ACID BENZYL ESTER
• CAS No.: 204588-77-2
• Molecular Formula: C13H14O2
• Molecular Weight: 202.253
• Hs Code.: 2916190090
• Mol file: 204588-77-2.mol

Synonyms:2,2-Dimethylbut-3-ynoic acid benzyl ester;

Chemical Property of 2,2-DIMETHYL-BUT-3-YNOIC ACID BENZYL ESTER

Chemical Property:

• Vapor Pressure: 0.00378mmHg at 25°C
• Refractive Index: 1.521
• Boiling Point: 280.4 °C at 760 mmHg
• Flash Point: 112.6 °C
• PSA: 26.30000
• Density: 1.052 g/cm³
• LogP: 2.38920
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Benzyl2,2-dimethylbut-3-ynoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,2-DIMETHYL-BUT-3-YNOIC ACID BENZYL ESTER

There total 1 articles about 2,2-DIMETHYL-BUT-3-YNOIC ACID BENZYL ESTER 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%

2,2-dimethyl-3-butynoic acid (56663-76-4) + benzyl alcohol (100-51-6,185532-71-2) → 2,2-dimethyl-3-butynoic acid benzyl ester (204588-77-2)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide;

DOI:10.1016/S0040-4039(98)00468-7

Reference yield: 76.9%

2,2-dimethyl-3-butynoic acid benzyl ester (204588-77-2) → C13H15N3O2

Guidance literature:

With copper(l) iodide; trimethylsilylazide; In methanol; N,N-dimethyl-formamide; at 100 ℃; Inert atmosphere;

Reference yield: 57.0%

7-Trifluoromethanesulphonyloxy-1,2,3,4-tetrahydronaphthalen-1-one (144464-65-3) + 2,2-dimethyl-3-butynoic acid benzyl ester (204588-77-2) → 7-[3-(benzyloxycarbonyl)-3,3-dimethyl-1-propynyl]-1,2,3,4-tetrahydronaphthalen-1-one (204588-78-3)

Guidance literature:

With triethylamine; bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; at 70 ℃;

DOI:10.1016/S0968-0896(98)80017-5

upstream raw materials:

2,2-dimethyl-3-butynoic acid

benzyl alcohol

Downstream raw materials:

7-[3-(benzyloxycarbonyl)-3,3-dimethyl-1-propynyl]-1,2,3,4-tetrahydronaphthalen-1-one

1-[7-[3-(benzyloxycarbonyl)-3,3-dimethyl-1-propynyl]-1,2,3,4-tetrahydro-1(R,S)-naphthyl]-2,3,4-tri-O-acetyl-α-L-fucopyranose

7-[3-(benzyloxycarbonyl)-3,3-dimethyl-1-propynyl]-1,2,3,4-tetrahydro-1(R,S)-naphthol

1-[7-[3-(benzyloxycarbonyl)-3,3-dimethyl-1-propynyl]-1,2,3,4-tetrahydro-1(R,S)-naphthyl]-2,3,4-tri-O-benzyl-α-L-fucopyranose

Refernces

• 1、 Murphy, Paul V.,Hubbard, Rod E.,Manallack, David T.,Montana, John G.,Taylor, Richard J. K.. "The synthesis of novel structural analogues of sialyl Lewis(x)". . p. 3273 - 3276. Retrieved 2007/10/03.