5-Chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid

Base Information

• Chemical Name: 5-Chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid
• CAS No.: 34385-94-9
• Molecular Formula: C9H7 Cl O3
• Molecular Weight: 198.606
• Hs Code.: 2932999099
• European Community (EC) Number: 801-838-7
• DSSTox Substance ID: DTXSID30390365
• Nikkaji Number: J1.584.458B
• ChEMBL ID: CHEMBL66555
• Mol file: 34385-94-9.mol

Synonyms:34385-94-9;5-chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid;5-Chloro-2,3-dihydro-benzofuran-2-carboxylic acid;5-Chloro-2,3-dihydrobenzofuran-2-carboxylic acid;CHEMBL66555;2-Benzofurancarboxylic acid, 5-chloro-2,3-dihydro-;F2124-0618;SCHEMBL5910335;DTXSID30390365;DVOUUBIBLOOFKC-UHFFFAOYSA-N;MFCD06753266;AKOS000301630;AKOS016042131;BS-13737;BB 0262400;CS-0109784;FT-0677804;EN300-14386;F14732;J-019580;5-chloro-2,3-dihydro-1-benzo[b]furan-2-carboxylic acid;Z104341198

Chemical Property of 5-Chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.77E-06mmHg at 25°C
• Boiling Point: 380.8°Cat760mmHg
• PKA: 2.85±0.20(Predicted)
• Flash Point: 184.1°C
• PSA: 46.53000
• Density: g/cm³
• LogP: 1.72810
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 198.0083718
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloro-2,3-dihydro-benzofuran-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=C1C=C(C=C2)Cl)C(=O)O

Technology Process of 5-Chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid

There total 9 articles about 5-Chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid 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: 74.0%

(+/-)-2-hydroxymethyl-5-chloro-2,3-dihydro-1-benzofuran (312608-45-0) → (+/-)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid (34385-94-9)

Guidance literature:

With sodium hypochlorite solution; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium hydrogencarbonate; In water; acetonitrile; at 0 ℃; for 1h;

Reference yield:

2,3-dihydro-1-benzofuran-2-carboxylic acid (1914-60-9) → (+/-)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid (34385-94-9)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 25 - 60 ℃; for 3h; Inert atmosphere;

Reference yield:

5-chlorobenzofuran-2-carboxylic acid (10242-10-1) → (+/-)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid (34385-94-9)

Guidance literature:

With sodium amalgam; In sodium hydroxide; for 2.5h;

DOI:10.1021/jm00371a003

upstream raw materials:

5-chlorobenzofuran-2-carboxylic acid

ethyl 5-chlorobenzofuran-2-carboxylate

5-chlorosalicyclaldehyde

4-chloro-phenol

Downstream raw materials:

(+/-)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylic acid methyl ester

(+/-)-2-hydroxymethyl-5-chloro-2,3-dihydro-1-benzofuran

Refernces

• 1、 -. "ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF". . . Retrieved 2014/05/25.
• 2、 Chapleo, Christopher B.,Myers, Peter L.,Butler, Richard C. M.,Davis, John A.,Doxey, John C.,et al.. "α-Adrenoreceptor Reagents. 2. Effects of Modification of the 1,4-Benzodioxan Ring System on α-Adrenoreceptor Activity". . p. 570 - 576. Retrieved 2007/10/02.