2,3-Dihydro-1-benzofuran-5-carbonyl chloride

Base Information

• Chemical Name: 2,3-Dihydro-1-benzofuran-5-carbonyl chloride
• CAS No.: 55745-71-6
• Molecular Formula: C₉H₇ClO₂
• Molecular Weight: 182.606
• Hs Code.: 2932999099
• European Community (EC) Number: 672-988-7
• DSSTox Substance ID: DTXSID40379848
• Wikidata: Q82169862
• Mol file: 55745-71-6.mol

Synonyms:2,3-dihydro-1-benzofuran-5-carbonyl chloride;55745-71-6;2,3-dihydrobenzofuran-5-carbonyl chloride;5-Benzofurancarbonyl chloride, 2,3-dihydro-;SCHEMBL642297;2,3-DIHYDRO-1-BENZOFURAN-5-CARBONYLCHLORIDE;DTXSID40379848;YQCKMNRXXRJGIZ-UHFFFAOYSA-N;5-coumaranyl carboxylic acid chloride;MFCD02677696;AKOS009159143;2,3-dihydrobenzofuran-5-carbonylchloride;AS-31416;2,3-dihydro-benzofuran-5-carbonyl chloride;FT-0609644;2,3-dihydro-benzo[b]furan-5-carbonyl chloride;A830781;J-507010;2,3-dihydro-1-benzofuran-5-carbonyl chloride, AldrichCPR

Chemical Property of 2,3-Dihydro-1-benzofuran-5-carbonyl chloride

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00146mmHg at 25°C
• Melting Point: 49 °C
• Refractive Index: 1.586
• Boiling Point: 296.2 °C at 760 mmHg
• Flash Point: 110.3 °C
• PSA: 26.30000
• Density: 1.342 g/cm³
• LogP: 2.00050
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 182.0134572
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

98%min ^*data from raw suppliers

2,3-Dihydro-1-benzofuran-5-carbonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xn
• Hazard Codes: C,Xn
• Statements: 34-51-22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C1C=C(C=C2)C(=O)Cl

Technology Process of 2,3-Dihydro-1-benzofuran-5-carbonyl chloride

There total 2 articles about 2,3-Dihydro-1-benzofuran-5-carbonyl chloride 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:

2,3-dihydrobenzofuran-5-carboxylic acid (76429-73-7) → 2,3-dihydrobenzofuran-5-carbonyl chloride (55745-71-6)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 5h; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejoc.201701150

Reference yield:

1H-Indole-5-carboxylic acid (1670-81-1,142396-03-0) → 2,3-dihydrobenzofuran-5-carbonyl chloride (55745-71-6)

Guidance literature:

With methanesulfonyl chloride; triethylamine;

Reference yield:

2,3-dihydrobenzofuran-5-carbonyl chloride (55745-71-6) + benzylamine (100-46-9) → N-benzyl-2,3-dihydrobenzofuran-5-carboxamide (1223371-26-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1039/c2cc17209g

upstream raw materials:

1H-Indole-5-carboxylic acid

2,3-dihydrobenzofuran-5-carboxylic acid

Downstream raw materials:

N-benzyl-1-(2,3-dihydrobenzofuran-5-yl)methanamine

N-benzyl-2,3-dihydrobenzofuran-5-carboxamide

Refernces

• 1、 -. "Heterocyclic N-acetonylbenzamides and their use as fungicides". Page 18. . Retrieved 2010/01/31.