3-(1H-Pyrrol-1-yl)-2-thiophenecarbaldehyde

Base Information

• Chemical Name: 3-(1H-Pyrrol-1-yl)-2-thiophenecarbaldehyde
• CAS No.: 107073-28-9
• Molecular Formula: C₉H₇NOS
• Molecular Weight: 177.227
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30380165
• Wikidata: Q82170262
• ChEMBL ID: CHEMBL4438996
• Mol file: 107073-28-9.mol

Synonyms:107073-28-9;3-(1H-Pyrrol-1-yl)-2-thiophenecarbaldehyde;3-pyrrol-1-ylthiophene-2-carbaldehyde;3-(1H-Pyrrol-1-yl)thiophene-2-carbaldehyde;2-Thiophenecarboxaldehyde,3-(1H-pyrrol-1-yl)-;3-(1H-Pyrrol-1-yl)thiophene-2-carboxaldehyde;CHEMBL4438996;DTXSID30380165;MFCD03086144;AKOS006228831;AS-8850;CS-0329727;FT-0613494;N-Carbobenzoxy-1,3-diaminopropaneHydrochloride;W-204621;3-(1H-Pyrrol-1-yl)-2-thiophenecarbaldehyde, AldrichCPR

Chemical Property of 3-(1H-Pyrrol-1-yl)-2-thiophenecarbaldehyde

Chemical Property:

• Vapor Pressure: 9.86E-05mmHg at 25°C
• Refractive Index: 1.64
• Boiling Point: 338.4°Cat760mmHg
• Flash Point: 158.4°C
• PSA: 50.24000
• Density: 1.23g/cm³
• LogP: 2.35130
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.02483502
• Heavy Atom Count: 12
• Complexity: 168

Purity/Quality:

98%min ^*data from raw suppliers

3-(1H-Pyrrol-1-yl)thiophene-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41-43
• Safety Statements: 26-36/37-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=C1)C2=C(SC=C2)C=O

Technology Process of 3-(1H-Pyrrol-1-yl)-2-thiophenecarbaldehyde

There total 2 articles about 3-(1H-Pyrrol-1-yl)-2-thiophenecarbaldehyde 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:

(3-Pyrrol-1-yl-thiophen-2-yl)-methanol (107073-27-8) → 3-(1H-pyrrol-1-yl)-2-thiophenecarbaldehyde (107073-28-9)

Guidance literature:

With manganese(IV) oxide; In chloroform; Heating;

Reference yield:

methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate (74772-16-0) → 3-(1H-pyrrol-1-yl)-2-thiophenecarbaldehyde (107073-28-9)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / tetrahydrofuran

2: manganese dioxide / CHCl₃ / Heating

With manganese(IV) oxide; lithium aluminium tetrahydride; In tetrahydrofuran; chloroform;

Reference yield: 80.0%

3-(1H-pyrrol-1-yl)-2-thiophenecarbaldehyde (107073-28-9) → (3-Pyrrol-1-yl-thiophen-2-yl)-methanol (107073-27-8)

Guidance literature:

With methanol; sodium tetrahydroborate; at 20 ℃; for 1h;

DOI:10.1021/acs.orglett.9b00563

upstream raw materials:

(3-Pyrrol-1-yl-thiophen-2-yl)-methanol

methyl 3-(1H-pyrrol-1-yl)thiophene-2-carboxylate

Downstream raw materials:

1-(3-(1H-pyrrol-1-yl)thiophen-2-yl)-N-(4-chlorobenzyl)-N-(pyridin-3-ylmethyl)methanamine

(3-Pyrrol-1-yl-thiophen-2-yl)-methanol

Refernces