Ethyl 3-chloro-4-hydroxybenzoate

Base Information

• Chemical Name: Ethyl 3-chloro-4-hydroxybenzoate
• CAS No.: 16357-41-8
• Molecular Formula: C9H9 Cl O3
• Molecular Weight: 200.622
• Hs Code.: 2918290000
• European Community (EC) Number: 626-364-6
• DSSTox Substance ID: DTXSID10505758
• Wikidata: Q82361058
• Mol file: 16357-41-8.mol

Synonyms:Ethyl 3-chloro-4-hydroxybenzoate;16357-41-8;Benzoic acid,3-chloro-4-hydroxy-, ethyl ester;Benzoic acid, 3-chloro-4-hydroxy-, ethyl ester;ETHYL 3-CHLORO-4-HYDROXYBENZOATE, 97%;SCHEMBL661487;BENZOIC ACID,3-CHLORO-4-HYDROXY-,ETHYL ESTER;Ethyl3-chloro-4-hydroxybenzoate;2-chloro-4 ethoxycarbonyl phenol;DTXSID10505758;Ethyl-3-chloro-4-hydroxybenzoate;QBOWIPYEPOVPGR-UHFFFAOYSA-N;MFCD05664241;AKOS008949211;AS-44481;CS-0324236;FT-0749865;NS00132854;ETHYL 3-CHLORO-4-HYDROXYBENZOATE 97;A899361;J-010062

Chemical Property of Ethyl 3-chloro-4-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 98-102 °C(lit.)
• Refractive Index: 1.554
• Boiling Point: 298.967°C at 760 mmHg
• PKA: 6.89±0.18(Predicted)
• Flash Point: 134.611°C
• PSA: 46.53000
• Density: 1.301g/cm³
• LogP: 2.22230
• XLogP3: 2.7
• 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:

97% ^*data from raw suppliers

Ethyl 3-chloro-4-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3-chloro-4-hydroxybenzoate

There total 6 articles about Ethyl 3-chloro-4-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: 86.0%

→ ethyl 3-chloro-4-hydroxybenzoate (16357-41-8)

Guidance literature:

Reference yield: 84.0%

ethanol (64-17-5) + 3-chloro-4-hydroxybenzoic acid (3964-58-7) → ethyl 3-chloro-4-hydroxybenzoate (16357-41-8)

Guidance literature:

With sulfuric acid; for 9h; Reflux;

DOI:10.1016/j.ejmech.2013.04.007

Reference yield:

ethyl 3-chloro-4-{[(trifluoromethyl)sulfonyl]oxy}benzoate (939050-79-0) → ethyl 3-chloro-4-hydroxybenzoate (16357-41-8)

Guidance literature:

With 1,1'-bis(diphenylphosphino)ferrocene; N-tert-butoxycarbonylprop-2-en-1-amine; palladium diacetate; caesium carbonate; In acetonitrile; at 80 ℃; for 14h; Inert atmosphere;

DOI:10.1021/ol902636v

upstream raw materials:

Ethyl 4-hydroxybenzoate

ethanol

3-chloro-4-hydroxybenzoic acid

ethyl 3-chloro-4-{[(trifluoromethyl)sulfonyl]oxy}benzoate

Downstream raw materials:

3-chloro-4-(2-hydroxy-3-piperidino-propoxy)-benzoic acid ethyl ester

3-chloro-4-methoxy-benzoic acid ethyl ester

3-Chloro-4-(ethoxy-propylsulfanyl-phosphoryloxy)-benzoic acid ethyl ester

3-chloro-4-hydroxy-N-(2-hydroxyethyl)benzamide