Benzo[b]furan-3-ylacetaldehyde

Base Information

• Chemical Name: Benzo[b]furan-3-ylacetaldehyde
• CAS No.: 352434-24-3
• Molecular Formula: C₁₀H₈O₂
• Molecular Weight: 160.172
• Hs Code.: 2932990090
• European Community (EC) Number: 640-331-3
• ChEMBL ID: CHEMBL3358221
• DSSTox Substance ID: DTXSID00593008
• Wikidata: Q82487381
• Mol file: 352434-24-3.mol

Synonyms:352434-24-3;Benzo[b]furan-3-ylacetaldehyde;2-(1-benzofuran-3-yl)acetaldehyde;1-BENZOFURAN-3-YLACETALDEHYDE 97;2-(benzofuran-3-yl)acetaldehyde;CHEMBL3358221;SCHEMBL1299218;(1-Benzofuran-3-yl)acetaldehyde;DTXSID00593008;(Benzo[b]furan-3-yl)acetaldehyde;IDIWXBHNEVHKCY-UHFFFAOYSA-N;BDBM50037872;MFCD08690245;AKOS017390843;PS-18429;DB-069172;F89328

Chemical Property of Benzo[b]furan-3-ylacetaldehyde

Chemical Property:

• Vapor Pressure: 0.00596mmHg at 25°C
• Refractive Index: 1.591
• Boiling Point: 272.8 °C at 760 mmHg
• Flash Point: 121.9 °C
• PSA: 30.21000
• Density: 1.173g/cm³
• LogP: 2.17420
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 160.052429494
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

BENZO[B]FURAN-3-YLACETALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CO2)CC=O

Technology Process of Benzo[b]furan-3-ylacetaldehyde

There total 4 articles about Benzo[b]furan-3-ylacetaldehyde 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: 27.0%

S-ethyl 2-(benzofuran-3-yl)ethanethioate (1373432-54-2) → benzo[b]furan-3-ylacetaldehyde (352434-24-3)

Guidance literature:

With triethylsilane; palladium 10% on activated carbon; In acetone; at 0 - 18 ℃;

DOI:10.1016/j.bmcl.2012.03.072

Reference yield:

2-(benzofuran-3-yl)-N-methoxy-N-methylacetamide (950888-56-9) → benzo[b]furan-3-ylacetaldehyde (352434-24-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 1h;

Reference yield:

1-benzofuran-3-carbaldehyde (4687-25-6) + methyl chloroacetate (96-34-4) → benzo[b]furan-3-ylacetaldehyde (352434-24-3)

Guidance literature:

1-benzofuran-3-carbaldehyde; methyl chloroacetate; With sodium; In methanol; at 20 ℃; for 1h;

With potassium hydroxide; In methanol; water; at 20 ℃; for 3h;

With potassium dihydrogenphosphate; water; In dichloromethane; at 30 ℃; for 3h;

DOI:10.1021/ol501217u

upstream raw materials:

2-(benzofuran-3-yl)-N-methoxy-N-methylacetamide

S-ethyl 2-(benzofuran-3-yl)ethanethioate

2-(3-benzofuranyl)acetic acid

1-benzofuran-3-carbaldehyde

Downstream raw materials:

(3aS,4S,10aS,10bS)-2-(4-bromophenyl)-4-(2-oxo-2-phenylethyl)-3a,4,10a,10b-tetrahydro-1H-benzofuro[2,3-e]isoindole-1,3(2H)-dione

(E)-4-(benzofuran-3-yl)-1-phenylbut-2-en-1-one

Refernces

• 1、 Hobley, Gerard,McKelvie, Jennifer C.,Harmer, Jenny E.,Howe, Jason,Oyston, Petra C.F.,Roach, Peter L.. "Development of rationally designed DNA N6 adenine methyltransferase inhibitors". supporting information; experimental part. p. 3079 - 3082. Retrieved 2012/06/17.