Methyl 5-chlorosalicylate

Base Information

• Chemical Name: Methyl 5-chlorosalicylate
• CAS No.: 4068-78-4
• Molecular Formula: C8H7ClO3
• Molecular Weight: 186.595
• Hs Code.: 29182900
• European Community (EC) Number: 223-778-5
• NSC Number: 85495
• UNII: M84L29Z8QR
• DSSTox Substance ID: DTXSID5063283
• Nikkaji Number: J217.875C
• Wikidata: Q72489216
• Mol file: 4068-78-4.mol

Synonyms:Methyl 5-chloro-2-hydroxybenzoate;4068-78-4;Methyl 5-chlorosalicylate;Benzoic acid, 5-chloro-2-hydroxy-, methyl ester;Salicylic acid, 5-chloro-, methyl ester;M84L29Z8QR;Methyl 5-chloro-2-hydroxyebenzoate;EINECS 223-778-5;MFCD00016461;NSC 85495;NSC-85495;5-Chloro-2-hydroxy-benzoicAcidMethylEster-13C,d3;methyl-5-chloro-2-hydroxybenzoate;methyl-5-chlorosalicylate;5-Chloro-2-hydeoxybenzoic acid methyl ester;methyl 5-chloro-salicylate;methyl-5-chloro-salicylate;NCIOpen2_001176;UNII-M84L29Z8QR;5-CHLORO-2-HYDROXYBENZOIC ACID METHYL ESTER;SCHEMBL123068;5-chlorosalicylic methyl ester;DTXSID5063283;Methyl 5-chlorosalicylate, 97%;Methyl5-chloro-2-hydroxybenzoate;CHEBI:194865;5-chlorosalicylic acid methyl ester;methyl 5-chloro-2-hydroxy-benzoate;Methyl-5-Chloro-2-hydroxylbenzoate;NSC85495;methyl 5-chloro-2-hydroxyl-benzoate;STK387493;AKOS000504162;AM86951;CS-W023093;PS-4485;AC-22837;FT-0628675;5-Chloro-2-hydroxy-benzoic acid methyl ester;EN300-50032;A873249;AN-652/43414006;W-106337;Z18532286;F3308-3665

Chemical Property of Methyl 5-chlorosalicylate

Chemical Property:

• Appearance/Colour: Solid.
• Vapor Pressure: 0.00751mmHg at 25°C
• Melting Point: 46-50 °C
• Refractive Index: 1.564
• Boiling Point: 260.5 °C at 760 mmHg
• PKA: 9.31±0.18(Predicted)
• Flash Point: 111.4 °C
• PSA: 46.53000
• Density: 1.354 g/cm³
• LogP: 1.83220
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• 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% ^*data from raw suppliers

Methyl5-chloro-2-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)Cl)O
• Uses: Methyl 5-chlorosalicylate was used in the synthesis of N-p-methoxyphenylbenzimino-p-chloro-o-carbomethoxyphenyl ether.

Technology Process of Methyl 5-chlorosalicylate

There total 18 articles about Methyl 5-chlorosalicylate 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: 100.0%

→ methyl 5-chloro-2-hydroxybenzoate (4068-78-4)

Guidance literature:

Reference yield: 94.8%

5-chloro-2-hydroxybenzoic acid (321-14-2) → methyl 5-chloro-2-hydroxybenzoate (4068-78-4)

Guidance literature:

With sulfuric acid; In methanol;

Reference yield: 94.8%

conc. H2 SO4 + 5-chloro-2-hydroxybenzoic acid (321-14-2) → methyl 5-chloro-2-hydroxybenzoate (4068-78-4)

Guidance literature:

In methanol;

upstream raw materials:

methanol

5-chloro-2-hydroxybenzoic acid

methyl N,N-dichlorocarbamate

methyl salicylate

Downstream raw materials:

3-(5-Chlor-2-hydroxybenzoyl)-1-methyl-2-pyrrolidinon

methyl 3-bromo-5-chloro-2-hydroxybenzoate

methyl 5-chloro-2-[(1,1-dimethyl-2-propyn-1-yl)oxy]benzoate

methyl 5-chloro-2-[(1-ethyl-2-propyn-1-yl)oxy]benzoate

Refernces

• 1、 Takahashi, Hiroto,Nagashima, Yuki,Tanaka, Ken. "Rhodium(III)-Catalyzed Oxidative Intramolecular 1,1-Oxyamination of Alkenes with Protected Amino Acids to Produce Oxazoloisoindole-2,5-diones". supporting information. p. 1891 - 1895. Retrieved 2021/04/05.
• 2、 Alam, Mahboob,Chavasiri, Warinthorn,Duong, Thuc-Huy,Huynh, Ngoc-Vinh,Nguyen, Huu-Hung,Nguyen, Thi-Phuong,Nguyen, Tien-Cong,Paramita Devi, Asshaima,Phan, Hoang-Vinh-Truong,Sichaem, Jirapast,Tran, Hoai-Duc,Tran, Nguyen-Minh-An. "Synthesis, α-glucosidase inhibition, and molecular docking studies of novel N-substituted hydrazide derivatives of atranorin as antidiabetic agents". . . Retrieved 2020/07/10.