Methyl 4-(chloromethyl)-5-methyl-2-furoate

Base Information

• Chemical Name: Methyl 4-(chloromethyl)-5-methyl-2-furoate
• CAS No.: 98490-89-2
• Molecular Formula: C8H9 Cl O3
• Molecular Weight: 188.611
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID70358767
• Wikidata: Q82139601
• Mol file: 98490-89-2.mol

Synonyms:98490-89-2;Methyl 4-(chloromethyl)-5-methyl-2-furoate;methyl 4-(chloromethyl)-5-methylfuran-2-carboxylate;C8H9ClO3;Methyl4-(chloromethyl)-5-methyl-2-furoate;EC-000.1535;SCHEMBL3534546;DTXSID70358767;XSQLZOXWRIQRDI-UHFFFAOYSA-N;MFCD01875643;STK524894;AKOS005458737;CS-0252506;EN300-60580;4-Chloromethyl-5-methyl-furan-2-carboxylic acid methyl ester;2-furancarboxylic acid, 4-(chloromethyl)-5-methyl-, methyl ester

Chemical Property of Methyl 4-(chloromethyl)-5-methyl-2-furoate

Chemical Property:

• Vapor Pressure: 0.00263mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 286.5°Cat760mmHg
• Flash Point: 127.1°C
• PSA: 39.44000
• Density: 1.224g/cm³
• LogP: 2.11340
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 188.0240218
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

methyl4-(chloromethyl)-5-methylfuran-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(O1)C(=O)OC)CCl

Technology Process of Methyl 4-(chloromethyl)-5-methyl-2-furoate

There total 2 articles about Methyl 4-(chloromethyl)-5-methyl-2-furoate 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:

methyl 4-hydroxymethyl-5-methylfuran-2-carboxylate (209853-87-2) → methyl 4-(chloromethyl)-5-methylfuran-2-carboxylate (98490-89-2)

Guidance literature:

With triethylamine; p-toluenesulfonyl chloride; In dichloromethane; at 0 - 20 ℃; for 4.25h;

Reference yield:

methyl 5-methyl-2-furancarboxylate (2527-96-0) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → methyl 4-(chloromethyl)-5-methylfuran-2-carboxylate (98490-89-2)

Guidance literature:

With hydrogenchloride; chloroform; zinc(II) chloride;

Reference yield:

methyl 4-(chloromethyl)-5-methylfuran-2-carboxylate (98490-89-2) + methyl phosphite (96-36-6,868-85-9) → methyl 4-methoxymethyl-5-methyl-2-furoate + methyl 4-dimethoxyphosphinoylmethyl-5-methyl-2-furoate

Guidance literature:

With sodium methylate; Yield given. Multistep reaction. Yields of byproduct given; 1.) MeOH, benzene, 2.) MeOH, benzene, reflux, 6 h;

upstream raw materials:

methyl 5-methyl-2-furancarboxylate

formaldehyd

methyl 4-hydroxymethyl-5-methylfuran-2-carboxylate

Downstream raw materials:

methyl 4,5-dimethylfuran-2-carboxylate

2,3-dimethylfuran

4,5-dimethyl-furan-2-carboxylic acid

4-[(4-bromophenylamino)methyl]-5-methylfuran-2-carboxylic acid methyl ester

Refernces