2-(3-Carboxypropyl)benzoic acid

Base Information

• Chemical Name: 2-(3-Carboxypropyl)benzoic acid
• CAS No.: 1081-27-2
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• DSSTox Substance ID: DTXSID70497504
• Wikidata: Q82347102
• Mol file: 1081-27-2.mol

Synonyms:2-(3-Carboxypropyl)benzoic acid;1081-27-2;2-(3-Carboxy-propyl)benzoic acid;Benzenebutanoic acid, 2-carboxy-;SCHEMBL9759595;DTXSID70497504;AVOKSIJOKRBGSL-UHFFFAOYSA-N;MFCD09607973

Chemical Property of 2-(3-Carboxypropyl)benzoic acid

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCCC(=O)O)C(=O)O

Technology Process of 2-(3-Carboxypropyl)benzoic acid

There total 14 articles about 2-(3-Carboxypropyl)benzoic 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:

2-ethoxycarbonyl-1-tetralone (6742-26-3) + cyclohexanol (108-93-0) → 1,2,3,4-tetrahydro-2-naphthoic acid (53440-12-3) + 3,4-dihydronaphthalene-2-carboxylic acid (22440-38-6) + 4-(2-carboxy-phenyl)-butyric acid (1081-27-2) + 1-hydroxy-2-naphthoic acid (86-48-6)

Guidance literature:

Reference yield:

→ 4-(2-carboxy-phenyl)-butyric acid (1081-27-2)

Guidance literature:

With hydroxylamine hydrochloride; acetic acid; Erhitzen des Reaktionsgemisches mit wss. Kalilauge;

DOI:10.1021/ja01226a038

Reference yield:

1-oxo-1,2,3,4-tetrahydronaphthalene-2-carbonitrile (54246-92-3) → 4-(2-carboxy-phenyl)-butyric acid (1081-27-2)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01226a038

upstream raw materials:

1-oxo-1,2,3,4-tetrahydronaphthalene-2-carbonitrile

1-Benzosuberone

6-[1-(5-Chloro-8,9-dihydro-7H-benzocyclohepten-6-yl)-meth-(E)-ylidene]-6,7,8,9-tetrahydro-benzocyclohepten-5-one

spiro<(2-oxo-tetrahydrofuran)-5,3'-(1'-oxo-benzofuran)>

Downstream raw materials:

2-{3-[(1R,2R)-2-carboxy-1-(2-chloro-benzyl)-2-hydroxy-ethylcarbamoyl]-propyl}-benzoic acid

2-{3-[(1R,2R)-2-butoxycarbonyl-1-(2-chloro-benzyl)-2-hydroxy-ethylcarbamoyl]-propyl}-benzoic acid

2-{3-[(1R,2R)-1-(2-chlorobenzyl)-2-ethoxycarbonyl-2-hydroxy-ethylcarbamoyl]-propyl}-benzoic acid

2-{3-[(1R,2R)-2-carboxy-2-hydroxy-1-(2-trifluoromethyl-benzyl)-ethylcarbamoyl]-propyl}-benzoic acid

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