3-(2-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid

Base Information

• Chemical Name: 3-(2-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid
• CAS No.: 132281-87-9
• Molecular Formula: C9H11NO3
• Molecular Weight: 181.191
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30569337
• Nikkaji Number: J3.479.709I
• Wikidata: Q82456463
• Mol file: 132281-87-9.mol

Synonyms:132281-87-9;3-(2-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid;3-(2-Formyl-4-methyl-1H-pyrrol-3-yl)-propionic acid;3-(2-Formyl-4-methyl-1H-pyrrol-3-yl)propanoicacid;3-(2-formyl-4-methyl-1H-pyrrol-3-yl)propionic acid;SCHEMBL7821237;DTXSID30569337;AKOS015842640;SB63058

Chemical Property of 3-(2-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 1.97E-06mmHg at 25°C
• Refractive Index: 1.603
• Boiling Point: 379.4 °C at 760 mmHg
• Flash Point: 183.3 °C
• PSA: 70.16000
• Density: 1.297g/cm³
• LogP: 1.15280
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

3-(2-Formyl-4-methyl-1H-pyrrol-3-yl)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CNC(=C1CCC(=O)O)C=O

Technology Process of 3-(2-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid

There total 9 articles about 3-(2-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid 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:

2-formyl-3-<2-(methoxycarbonyl)ethyl>-4-methylpyrrole (34463-53-1) → 3-(2-FORMYL-4-METHYL-1H-PYRROL-3-YL)-PROPIONIC ACID (132281-87-9)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃;

DOI:10.1016/j.tetlet.2005.10.063

Reference yield:

3-(2-Formyl-4-methyl-1H-pyrrol-3-yl)-propionic acid ethyl ester → 3-(2-FORMYL-4-METHYL-1H-PYRROL-3-YL)-PROPIONIC ACID (132281-87-9)

Guidance literature:

With sodium hydroxide; In water; for 0.5h; Yield given; Heating;

DOI:10.1016/S0040-4020(01)80362-8

Reference yield:

ethyl 5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-propanoate (54278-10-3) → 3-(2-FORMYL-4-METHYL-1H-PYRROL-3-YL)-PROPIONIC ACID (132281-87-9)

Guidance literature:

Multi-step reaction with 6 steps

1: 1) SO₂Cl₂, 2) H₂O / 1a) THF, -15 deg C, 1 h, 1b) 0 deg C, 4 h, 2) RT, overnight

2: 10percent aq. NaOH / 3 h / Heating

3: 1) TFA / 1) TFA, EtOH, overnight, 2) RT, 48 h

4: 81 percent / 5 h / 180 °C / 2 Torr

5: POCl₃ / diethyl ether / Ambient temperature

6: NaOH / H₂O / 0.5 h / Heating

With sodium hydroxide; sulfuryl dichloride; water; trifluoroacetic acid; trichlorophosphate; In diethyl ether; water;

DOI:10.1016/S0040-4020(01)80362-8

upstream raw materials:

methyl 4-methylpyrrole-3-propionate

N,N-dimethyl-formamide

ethyl 4-methyl-1H-pyrrole-3-propanoate

2-formyl-3-<2-(methoxycarbonyl)ethyl>-4-methylpyrrole

Downstream raw materials:

coproporphyrin I

coproporphyrin III