1-(2-Methoxy-phenyl)-1H-pyrrole-2-carbaldehyde

Base Information

• Chemical Name: 1-(2-Methoxy-phenyl)-1H-pyrrole-2-carbaldehyde
• CAS No.: 169036-73-1
• Molecular Formula: C₁₂H₁₁NO₂
• Molecular Weight: 201.225
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20390359
• ChEMBL ID: CHEMBL1490023
• Mol file: 169036-73-1.mol

Synonyms:1-(2-Methoxy-phenyl)-1H-pyrrole-2-carbaldehyde;169036-73-1;1-(2-methoxyphenyl)-1H-pyrrole-2-carbaldehyde;1-(2-methoxyphenyl)pyrrole-2-carbaldehyde;MLS000718618;CHEMBL1490023;DTXSID20390359;HMS2668O10;BBL012146;MFCD02664905;STK115716;AKOS000100960;SB62409;SMR000290886;VS-03209;BB 0249268;CS-0316430;EN300-6502638;1-(2-Methoxy-phenyl)-1H-pyrrole-2-carbaldeh yde;SR-01000325181;SR-01000325181-1;Z111572812;1-(2-Methoxyphenyl)-1H-pyrrole-2-carbaldehyde, AldrichCPR

Chemical Property of 1-(2-Methoxy-phenyl)-1H-pyrrole-2-carbaldehyde

Chemical Property:

• PSA: 31.23000
• LogP: 2.29840
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

98%Min ^*data from raw suppliers

1-(2-Methoxy-phenyl)-1h-pyrrole-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1N2C=CC=C2C=O
• Uses: 1-(2-Methoxy-phenyl)-1h-pyrrole-2-carbaldehyde

Technology Process of 1-(2-Methoxy-phenyl)-1H-pyrrole-2-carbaldehyde

There total 2 articles about 1-(2-Methoxy-phenyl)-1H-pyrrole-2-carbaldehyde 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:

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1-(2-methoxyphenyl)-1H-pyrrole (89096-73-1) → 1-(2-methoxy-phenyl)-1H-pyrrole-2-carbaldehyde (169036-73-1) + 1-(2-methoxy-phenyl)-1H-pyrrole-3-carbaldehyde (864547-99-9)

Guidance literature:

With trichlorophosphate; at 0 - 80 ℃; for 1h;

DOI:10.1016/j.bmcl.2005.05.059

Reference yield:

2-methoxy-phenylamine (90-04-0) → 1-(2-methoxy-phenyl)-1H-pyrrole-2-carbaldehyde (169036-73-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / acetic acid / 2 h / Heating

2: POCl₃ / 1 h / 0 - 80 °C

With acetic acid; trichlorophosphate;

DOI:10.1016/j.bmcl.2005.05.059

Reference yield:

1-(2-methoxy-phenyl)-1H-pyrrole-2-carbaldehyde (169036-73-1) + 1-methyl-piperazine (109-01-3) → 1-[1-(2-methoxy-phenyl)-1H-pyrrol-2-ylmethyl]-4-methyl-piperazine

Guidance literature:

With sodium cyanoborohydride; In methanol; Heating;

DOI:10.1016/j.bmcl.2005.05.059

upstream raw materials:

N,N-dimethyl-formamide

1-(2-methoxyphenyl)-1H-pyrrole

2-methoxy-phenylamine

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