1H-Pyrrole-2-carboxaldehyde, 5-ethynyl-3,4-dimethyl- (9CI)

Base Information

Chemical Name:1H-Pyrrole-2-carboxaldehyde, 5-ethynyl-3,4-dimethyl- (9CI)
CAS No.:250253-82-8
Molecular Formula:C₉H₉NO
Molecular Weight:147.177
Hs Code.:
Mol file:250253-82-8.mol

Synonyms:1H-Pyrrole-2-carboxaldehyde, 5-ethynyl-3,4-dimethyl- (9CI)

Suppliers and Price of 1H-Pyrrole-2-carboxaldehyde, 5-ethynyl-3,4-dimethyl- (9CI)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 2 raw suppliers

Chemical Property of 1H-Pyrrole-2-carboxaldehyde, 5-ethynyl-3,4-dimethyl- (9CI)

Chemical Property:

Melting Point:154-155 °C
Boiling Point:302.1±42.0 °C(Predicted)
PKA:14.73±0.50(Predicted)
PSA：32.86000
Density:1.10±0.1 g/cm3(Predicted)
LogP:1.42530

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Technology Process of 1H-Pyrrole-2-carboxaldehyde, 5-ethynyl-3,4-dimethyl- (9CI)

There total 6 articles about 1H-Pyrrole-2-carboxaldehyde, 5-ethynyl-3,4-dimethyl- (9CI) 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: 99.0%

: 250253-81-7
3,4-dimethyl-2-formyl-5-[(trimethylsilyl)ethynyl]pyrrole

: 250253-82-8
5-ethynyl-3,4-dimethyl-2-formylpyrrole

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 1h;
DOI:10.1021/jo9909406

Reference yield:

: 2199-46-4
2-(ethoxycarbonyl)-3,4,5-trimethylpyrrole

: 250253-82-8
5-ethynyl-3,4-dimethyl-2-formylpyrrole

Guidance literature:: Multi-step reaction with 5 steps

1: 90 percent / ceric ammonium nitrate; acetic acid / tetrahydrofuran; H₂O / 2 h / 20 °C

2: 93 percent / LiOH*H₂O / tetrahydrofuran; H₂O / 4 h / 70 °C

3: 81 percent / sodium acetate; glacial acetic acid; ICl / CH₂Cl₂ / 3 h / 80 °C

4: 95 percent / copper(I) iodide; dichlorobis(triphenylphosphine)palladium(II); diethylamine / 1 h / 50 °C

5: 99 percent / tetrabutylammonium fluoride / tetrahydrofuran / 1 h / 20 °C

With bis-triphenylphosphine-palladium(II) chloride; lithium hydroxide; copper(l) iodide; ammonium cerium(IV) nitrate; tetrabutyl ammonium fluoride; sodium acetate; Iodine monochloride; acetic acid; diethylamine; In tetrahydrofuran; dichloromethane; water; 1: Oxidation / 2: Hydrolysis / 3: Iodination / 4: Sonogashira coupling / 5: desilylation;
DOI:10.1021/jo9909406

Reference yield:

: 135570-21-7
3,4-dimethyl-2-formylpyrrole-5-carboxylic acid

: 250253-82-8
5-ethynyl-3,4-dimethyl-2-formylpyrrole

Guidance literature:: Multi-step reaction with 3 steps

1: 81 percent / sodium acetate; glacial acetic acid; ICl / CH₂Cl₂ / 3 h / 80 °C

2: 95 percent / copper(I) iodide; dichlorobis(triphenylphosphine)palladium(II); diethylamine / 1 h / 50 °C

3: 99 percent / tetrabutylammonium fluoride / tetrahydrofuran / 1 h / 20 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; tetrabutyl ammonium fluoride; sodium acetate; Iodine monochloride; acetic acid; diethylamine; In tetrahydrofuran; dichloromethane; 1: Iodination / 2: Sonogashira coupling / 3: desilylation;
DOI:10.1021/jo9909406