Methyl 3-chloro-5-hydroxybenzoate

Base Information

• Chemical Name: Methyl 3-chloro-5-hydroxybenzoate
• CAS No.: 98406-04-3
• Molecular Formula: C8H7ClO3
• Molecular Weight: 186.595
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID60467211
• Nikkaji Number: J1.923.590D
• Wikidata: Q72489221
• Mol file: 98406-04-3.mol

Synonyms:METHYL 3-CHLORO-5-HYDROXYBENZOATE;98406-04-3;3-CHLORO-5-HYDROXY-BENZOIC ACID METHYL ESTER;3-Chloro-5-hydroxybenzoic acid methyl ester;MFCD12407235;Benzoic acid, 3-chloro-5-hydroxy-, methyl ester;SCHEMBL5185978;DTXSID60467211;AUILWNSXFXPDID-UHFFFAOYSA-N;SB40350;METHYL3-CHLORO-5-HYDROXYBENZOATE;AS-47389;SY275106;CS-0150830;FT-0741786;F13564

Chemical Property of Methyl 3-chloro-5-hydroxybenzoate

Chemical Property:

• Melting Point: 133-135℃
• Boiling Point: 322℃
• Flash Point: 149℃
• PSA: 46.53000
• Density: 1.354
• LogP: 1.83220
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.0083718
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99%min ^*data from raw suppliers

Methyl3-Chloro-5-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=CC(=C1)Cl)O

Technology Process of Methyl 3-chloro-5-hydroxybenzoate

There total 7 articles about Methyl 3-chloro-5-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: 99.0%

methanol (67-56-1) + 3-chloro-5-hydroxybenzoic acid (53984-36-4) → methyl 3-chloro-5-hydroxybenzoate (98406-04-3)

Guidance literature:

With sulfuric acid; for 5.5h; Heating / reflux;

Reference yield: 93.0%

methyl 3-chloro-5-methoxybenzoate (96826-41-4) → methyl 3-chloro-5-hydroxybenzoate (98406-04-3)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 ℃; for 3h;

Reference yield:

methyl 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (408492-29-5) → methyl 3-chloro-5-hydroxybenzoate (98406-04-3)

Guidance literature:

With Oxone; In acetone; at 25 ℃; for 0.116667h;

DOI:10.1021/ja0349857

upstream raw materials:

methyl 3-chloro-5-methoxybenzoate

methyl 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

methanol

3-chloro-5-hydroxybenzoic acid

Downstream raw materials:

C₁₄H₂₁ClO₃Si

C₁₅H₂₃ClO₃Si

C₁₃H₂₁ClO₂Si

3-chloro-5-hydroxybenzyl acetate

Refernces

• 1、 -. "NOVEL INHIBITORS OF MAP4K1". Page/Page column 63; 64. . Retrieved 2018/12/13.
• 2、 -. "BIARYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS". Page/Page column 57. . Retrieved 2014/10/15.