(7R)-5-chloro-3-phenyl-7,8-dihydrofuro[2,3-g][1,2]benzoxazole-7-carboxylic acid

Base Information

• Chemical Name: (7R)-5-chloro-3-phenyl-7,8-dihydrofuro[2,3-g][1,2]benzoxazole-7-carboxylic acid
• CAS No.: 107804-48-8
• Molecular Formula: C16H10 Cl N O4
• Molecular Weight: 315.71
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30910527
• Wikidata: Q82880401
• Mol file: 107804-48-8.mol

Synonyms:5-chloro-7,8-dihydro-3-phenylfuro(2,3-g)1,2-benzisoxazole-7-carboxylic acid;AA 193;AA-193

Chemical Property of (7R)-5-chloro-3-phenyl-7,8-dihydrofuro[2,3-g][1,2]benzoxazole-7-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.51E-14mmHg at 25°C
• Boiling Point: 580.7°Cat760mmHg
• Flash Point: 305°C
• PSA: 72.56000
• Density: 1.509g/cm³
• LogP: 3.53630
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 315.0298355
• Heavy Atom Count: 22
• Complexity: 442

Purity/Quality:

99% ^*data from raw suppliers

5-CHLORO-7,8-DIHYDRO-3-PHENYLFURO[2,3-G]-1,2-BENZISOXAZOLE-7-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=C(C=C3C(=C21)ON=C3C4=CC=CC=C4)Cl)C(=O)O
• Isomeric SMILES: C1[C@@H](OC2=C(C=C3C(=C21)ON=C3C4=CC=CC=C4)Cl)C(=O)O

Technology Process of (7R)-5-chloro-3-phenyl-7,8-dihydrofuro[2,3-g][1,2]benzoxazole-7-carboxylic acid

There total 27 articles about (7R)-5-chloro-3-phenyl-7,8-dihydrofuro[2,3-g][1,2]benzoxazole-7-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: 99.0%

ethyl 5-chloro-7,8-dihydro-3-phenylfuro<2,3-g>-1,2-benzisoxazole-7-carboxylate (107804-63-7) → 5-chloro-7,8-dihydro-3-phenylfuro<2,3-g>-1,2-benzisoxazole-7-carboxylic acid (107804-48-8)

Guidance literature:

With sodium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1248/cpb.39.1760

Reference yield: 43.0%

5-chloro-7,8-dihydro-3-phenylfuro<2,3-g>-1,2-benzisoxazole-7-methanol (107804-47-7) → 5-chloro-7,8-dihydro-3-phenylfuro<2,3-g>-1,2-benzisoxazole-7-carboxylic acid (107804-48-8)

Guidance literature:

With potassium permanganate; Tris(3,6-dioxaheptyl)amine; In 1,2-dichloro-ethane; for 1.5h; Heating;

DOI:10.1248/cpb.40.2597

Reference yield:

4,7-dichloro-2,4-dihydro-5-(α-hydroxyiminobenzyl)benzo[b]furan-2-carboxylic acid → 5-chloro-7,8-dihydro-3-phenylfuro<2,3-g>-1,2-benzisoxazole-7-carboxylic acid (107804-48-8)

Guidance literature:

In N-methyl-acetamide; water;

upstream raw materials:

5-chloro-7,8-dihydro-3-phenylfuro<2,3-g>-1,2-benzisoxazole-7-methanol

4,7-dichloro-2,3-dihydro-5-(α-hydroxyiminobenzyl)benzofuran-2-carboxylic acid

ethyl 5-chloro-7,8-dihydro-3-phenylfuro<2,3-g>-1,2-benzisoxazole-7-carboxylate

2,5-dichlorophenol

Downstream raw materials:

ethyl 5-chloro-7,8-dihydro-3-phenylfuro<2,3-g>-1,2-benzisoxazole-7-carboxylate

Refernces

• 1、 Sato,Dan,Onuma,Tanaka,Aoki,Koga. "Studies on uricosuric diuretics. II. Substituted 7,8-dihydrofuro[2,3-g]-1,2-benzisoxazole-7-carboxylic acids and 7,8-dihydrofuro[2,3-g]benzoxazole-7-carboxylic acids". . p. 1760 - 1772. Retrieved 2007/10/02.