methyl 6-chloro-2H-chromene-3-carboxylate

Base Information

• Chemical Name: methyl 6-chloro-2H-chromene-3-carboxylate
• CAS No.: 68281-65-2
• Molecular Formula: C₁₁H₉ClO₃
• Molecular Weight: 224.644
• Hs Code.: 2916190090
• DSSTox Substance ID: DTXSID30377191
• Wikidata: Q82166304
• Mol file: 68281-65-2.mol

Synonyms:methyl 6-chloro-2H-chromene-3-carboxylate;68281-65-2;6-CHLORO-2H-CHROMENE-3-CARBOXYLIC ACID METHYL ESTER;Bionet2_000028;methyl 6-chloro-2H-1-benzopyran-3-carboxylate;SCHEMBL11526406;DTXSID30377191;OLQOSWHSVZKSLW-UHFFFAOYSA-N;HMS1364B06;MFCD00202038;AKOS005070301;4G-418S;AB04729;methyl6-chloro-2H-chromene-3-carboxylate;CS-0319576;FT-0680357;A836075;J-522543;2H-1-Benzopyran-3-carboxylicacid,6-chloro-,methyl ester

Chemical Property of methyl 6-chloro-2H-chromene-3-carboxylate

Chemical Property:

• Vapor Pressure: 8.65E-05mmHg at 25°C
• Melting Point: 113-115°C
• Boiling Point: 340.4 °C at 760 mmHg
• Flash Point: 147.4 °C
• PSA: 35.53000
• Density: 1.335 g/cm³
• LogP: 2.28880
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 224.0240218
• Heavy Atom Count: 15
• Complexity: 288

Purity/Quality:

98%min ^*data from raw suppliers

Methyl6-chloro-2H-chromene-3-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1

Technology Process of methyl 6-chloro-2H-chromene-3-carboxylate

There total 4 articles about methyl 6-chloro-2H-chromene-3-carboxylate 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:

6-chloro-3,4-dihydro-4-hydroxy-(2H)-1-benzopyran-3-carbonitrile (68281-64-1) → methyl 6-chloro-2H-1-benzopyran-3-carboxylate (68281-65-2)

Guidance literature:

With sulfuric acid; In methanol;

Reference yield:

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + 5-chlorosalicyclaldehyde (635-93-8) → methyl 6-chloro-2H-1-benzopyran-3-carboxylate (68281-65-2)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; at 30 ℃; for 168h;

DOI:10.1080/00397919608003567

Reference yield:

(Z)-3-(4-Chloro-phenoxy)-2-(4-chloro-phenoxymethyl)-acrylic acid methyl ester (118670-65-8) → methyl 6-chloro-2H-1-benzopyran-3-carboxylate (68281-65-2) + 6-Chloro-3-[1-(5-chloro-2-hydroxy-phenyl)-meth-(E)-ylidene]-chroman-2-one (118670-78-3)

Guidance literature:

With N,N-diethylaniline; Heating;

DOI:10.1016/S0040-4039(00)96721-2

upstream raw materials:

(Z)-3-(4-Chloro-phenoxy)-2-(4-chloro-phenoxymethyl)-acrylic acid methyl ester

acrylic acid methyl ester

5-chlorosalicyclaldehyde

6-chloro-3,4-dihydro-4-hydroxy-(2H)-1-benzopyran-3-carbonitrile

Downstream raw materials:

(+/-)-6-chloro-2,3-dihydro-4H-1-benzopyran-3-carboxylic acid methyl ester