Ethyl 2-chloro-6-hydroxybenzoate

Base Information

• Chemical Name: Ethyl 2-chloro-6-hydroxybenzoate
• CAS No.: 112270-06-1
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID30554142
• Wikidata: Q82435000
• Mol file: 112270-06-1.mol

Synonyms:ETHYL 2-CHLORO-6-HYDROXYBENZOATE;112270-06-1;MFCD09038111;Benzoic acid, 2-chloro-6-hydroxy-, ethyl ester;SCHEMBL2339088;DTXSID30554142;AMY28948;CYCLOOCTATETRAENEIRONTRICARBONYL;AKOS015849952;CS-W018896;FS-2915;SY107615;2-Chloro-6-hydroxy-benzoic acid ethyl ester;J-520732

Chemical Property of Ethyl 2-chloro-6-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 0.005mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 267.195 °C at 760 mmHg
• Flash Point: 115.396 °C
• PSA: 46.53000
• Density: 1.301 g/cm³
• LogP: 2.22230
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-chloro-6-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=CC=C1Cl)O

Technology Process of Ethyl 2-chloro-6-hydroxybenzoate

There total 7 articles about Ethyl 2-chloro-6-hydroxybenzoate 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: 90.0%

ethyl 3-chlorophenyl carbonate (1847-87-6) → ethyl 2-chloro-6-hydroxybenzoate (112270-06-1)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; diisopropylamine; In tetrahydrofuran; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2020.152488

Reference yield: 77.0%

ethyl 2-amino-6-chlorobenzoate (172217-11-7) → ethyl 2-chloro-6-hydroxybenzoate (112270-06-1)

Guidance literature:

ethyl 2-amino-6-chlorobenzoate; With sulfuric acid; sodium nitrite; In water; at 0 ℃; for 0.333333h;

In water; at 120 ℃; for 1h;

DOI:10.1021/jm030317k

Reference yield: 75.0%

ethyl 2-chlorobenzoate (7335-25-3) → ethyl 2-chloro-6-hydroxybenzoate (112270-06-1)

Guidance literature:

With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; Selectfluor; trifluoroacetic acid; trifluoroacetic anhydride; at 105 ℃; for 10.5h;

DOI:10.1021/ol301104n

upstream raw materials:

ethyl 3-chloro-2-(ethoxycarbonyl)hexa-2,4-dienoate

ethyl 2-amino-6-chlorobenzoate

2-chloro-6-aminobenzoic acid

ethyl 2-chloro-6-nitrobenzoate

Downstream raw materials:

ethyl 6-chloro-2-methoxybenzoate

ethyl 2-(allyloxy)-6-chlorobenzoate

6-chloro-1-benzofuran-7-amine

6-chloro-1-benzofuran-7-carboxylic acid

Refernces

• 1、 Yang, Yiqing,Lin, Yun,Rao, Yu. "Ruthenium(II)-catalyzed synthesis of hydroxylated arenes with ester as an effective directing group". supporting information; experimental part. p. 2874 - 2877. Retrieved 2012/07/28.
• 2、 -. "QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS". . . Retrieved 2008/06/13.