1-Isopropyl-1H-pyrrole-2-carbaldehyde

Base Information

• Chemical Name: 1-Isopropyl-1H-pyrrole-2-carbaldehyde
• CAS No.: 23373-77-5
• Molecular Formula: C8H11NO
• Molecular Weight: 137.17900
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40390078
• Nikkaji Number: J3.078.089B
• Wikidata: Q82186489
• Mol file: 23373-77-5.mol

Synonyms:1-Isopropyl-1H-pyrrole-2-carbaldehyde;23373-77-5;1-propan-2-ylpyrrole-2-carbaldehyde;1-isopropylpyrrole-2-carbaldehyde;SCHEMBL10505467;DTXSID40390078;UOQYIUGOKYHBSM-UHFFFAOYSA-N;YAA37377;MFCD07186350;AKOS000101383;SB62338;AM100551;BS-35857;CS-0117897;1-Isopropyl-1H-pyrrole-2-carbaldehyde, AldrichCPR

Chemical Property of 1-Isopropyl-1H-pyrrole-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.164mmHg at 25°C
• Boiling Point: 213.4oC at 760 mmHg
• Flash Point: 82.9oC
• PSA: 22.00000
• Density: 0.98g/cm3
• LogP: 1.88150
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

97% ^*data from raw suppliers

1-Isopropyl-1H-pyrrole-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=CC=C1C=O

Technology Process of 1-Isopropyl-1H-pyrrole-2-carbaldehyde

There total 10 articles about 1-Isopropyl-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: 14.0%

N-isopropylpyrrole (7057-97-8) + diphenylformamide (607-00-1) → 1-prop-2-yl-2-pyrrolecarboxaldehyde (23373-77-5) + 1-isopropyl-1H-pyrrole-3-carbaldehyde (30186-45-9)

Guidance literature:

diphenylformamide; With trichlorophosphate; In 1,1-dichloroethane; Reflux;

N-isopropylpyrrole; In 1,1-dichloroethane; for 2h; Reflux;

With water; sodium acetate; regioselective reaction;

DOI:10.1055/s-0031-1290763

Reference yield:

N-isopropylpyrrole (7057-97-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1-prop-2-yl-2-pyrrolecarboxaldehyde (23373-77-5)

Guidance literature:

With trichlorophosphate; Multistep reaction;

DOI:10.1021/jm00124a027

Reference yield:

N-isopropylpyrrole (7057-97-8) + 2,2,4-trimethyl-3,4-dihydroquinoline-1(2H)-carbaldehyde (4497-57-8) → 1-prop-2-yl-2-pyrrolecarboxaldehyde (23373-77-5) + 1-isopropyl-1H-pyrrole-3-carbaldehyde (30186-45-9)

Guidance literature:

N-isopropylpyrrole; 2,2,4-trimethyl-3,4-dihydroquinoline-1(2H)-carbaldehyde; With trichlorophosphate; In 1,1-dichloroethane; for 1h; Reflux;

With potassium hydroxide; In 1,1-dichloroethane; water; for 0.0166667h;

DOI:10.1055/s-0031-1290763

upstream raw materials:

N-isopropylpyrrole

N,N-dimethyl-formamide

2,2,4-trimethyl-3,4-dihydroquinoline-1(2H)-carbaldehyde

N,N-diisorpopylformamide