DiMethyl 5-ChloroMethyl-1,3-Benzene-Dicarboxylate

Base Information

• Chemical Name: DiMethyl 5-ChloroMethyl-1,3-Benzene-Dicarboxylate
• CAS No.: 252210-01-8
• Molecular Formula: C11H11ClO4
• Molecular Weight: 242.659
• Mol file: 252210-01-8.mol

Synonyms:DiMethyl 5-ChloroMethyl-1,3-Benzene-Dicarboxylate

Chemical Property of DiMethyl 5-ChloroMethyl-1,3-Benzene-Dicarboxylate

Chemical Property:

• Boiling Point: 362.0±37.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.257±0.06 g/cm3(Predicted)
• LogP: 1.99860

Purity/Quality:

98.5% ^*data from raw suppliers

DIMETHYL-5-CHLOROMETHYL-1,3-BENZENE DICARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of DiMethyl 5-ChloroMethyl-1,3-Benzene-Dicarboxylate

There total 4 articles about DiMethyl 5-ChloroMethyl-1,3-Benzene-Dicarboxylate 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: 98.0%

dimethyl 5-hydroxymethylbenzene-1,3-dicarboxylate (109862-53-5) → dimethyl 5-chloromethyl-1,3-benzenedicarboxylate (252210-01-8)

Guidance literature:

With thionyl chloride; for 1.5h; Inert atmosphere; Reflux;

DOI:10.1021/acs.jmedchem.6b01892

Reference yield:

1,3,5-tris-(methoxycarbonyl)benzene (2672-58-4) → dimethyl 5-chloromethyl-1,3-benzenedicarboxylate (252210-01-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / 0.1 M aq. NaOH / methanol / 18 h

2: 88 percent / borane-methyl sulfide / tetrahydrofuran / 24 h / 27 °C

3: 93 percent / SOCl₂ / 1 h / Heating

With sodium hydroxide; thionyl chloride; dimethylsulfide borane complex; In tetrahydrofuran; methanol; 1: Hydrolysis / 2: Reduction / 3: Chlorination;

DOI:10.1021/ja991729e

Reference yield:

3,5-bis(methoxycarbonyl)benzoic acid (38588-64-6) → dimethyl 5-chloromethyl-1,3-benzenedicarboxylate (252210-01-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / borane-methyl sulfide / tetrahydrofuran / 24 h / 27 °C

2: 93 percent / SOCl₂ / 1 h / Heating

With thionyl chloride; dimethylsulfide borane complex; In tetrahydrofuran; 1: Reduction / 2: Chlorination;

DOI:10.1021/ja991729e

upstream raw materials:

dimethyl 5-hydroxymethylbenzene-1,3-dicarboxylate

benzene-1,3,5-tricarboxylic acid

1,3,5-tris-(methoxycarbonyl)benzene

3,5-bis(methoxycarbonyl)benzoic acid

Downstream raw materials:

5-(((tert-butoxycarbonyl)amino)methyl)isophthalic acid

dimethyl 5-(azidomethyl)isophthalate

QAD-3

5-azidomethyl-N,N'-bis[3-O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)propyl]benzene-1,3-dicarboxamide