TERT-BUTYL 4-ACETYL-3,5-DIMETHYL-2-PYRROLECARBOXYLATE

Base Information

• Chemical Name: TERT-BUTYL 4-ACETYL-3,5-DIMETHYL-2-PYRROLECARBOXYLATE
• CAS No.: 63040-83-5
• Molecular Formula: C13H19 N O3
• Molecular Weight: 237.299
• Hs Code.: 2933990090
• Mol file: 63040-83-5.mol

Synonyms:Pyrrole-2-carboxylicacid, 4-acetyl-3,5-dimethyl-, tert-butyl ester (7CI); NSC 157282; tert-Butyl4-acetyl-3,5-dimethylpyrrole-2-carboxylate

Chemical Property of TERT-BUTYL 4-ACETYL-3,5-DIMETHYL-2-PYRROLECARBOXYLATE

Chemical Property:

• Vapor Pressure: 1E-05mmHg at 25°C
• Melting Point: 151-153oC(lit.)
• Boiling Point: 371.8°C at 760 mmHg
• Flash Point: 178.7°C
• PSA: 59.16000
• Density: 1.082g/cm³
• LogP: 2.78940

Purity/Quality:

98%,99%, ^*data from raw suppliers

tert-Butyl 4-acetyl-3,5-dimethyl-2-pyrrolecarboxylate 98% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of TERT-BUTYL 4-ACETYL-3,5-DIMETHYL-2-PYRROLECARBOXYLATE

There total 2 articles about TERT-BUTYL 4-ACETYL-3,5-DIMETHYL-2-PYRROLECARBOXYLATE 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:

acetic acid tert-butyl ester (540-88-5) + acetylacetone (123-54-6,81235-32-7) → tert-butyl 3,5-dimethyl-4-acetyl-2-pyrrolecarboxylate (63040-83-5)

Guidance literature:

With sodium acetate; zinc; sodium nitrite; Yield given. Multistep reaction; 1.) water, acetic acid, 5 deg C, 18 h, 2.) acetic acid, 75 deg C, 1 h;

DOI:10.1021/jo00371a011

Reference yield:

tert-butyl acetoacetate (1694-31-1) + acetylacetone (123-54-6,81235-32-7) → tert-butyl 3,5-dimethyl-4-acetyl-2-pyrrolecarboxylate (63040-83-5)

Guidance literature:

With acetic acid; zinc; sodium nitrite; Reaktion ueber zwei Stufen;

DOI:10.1111/1467-7717.00150

Reference yield:

tert-butyl 3,5-dimethyl-4-acetyl-2-pyrrolecarboxylate (63040-83-5) → 2,4-dimethyl-3-acetylpyrrole (2386-25-6)

Guidance literature:

With toluene-4-sulfonic acid; at 200 - 210 ℃;

DOI:10.1111/1467-7717.00150

upstream raw materials:

tert-butyl acetoacetate

acetylacetone

acetic acid tert-butyl ester

Downstream raw materials:

2,4-dimethyl-3-acetylpyrrole

ethioporphyrin I

tert-butyl 3,4,5-dimethylpyrrole-2-carboxylate

tert-butyl 5-(2-cyano-3-ethoxy-3-oxo-1-propenyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate