dimethyl 2-isocyanatoterephthalate

Base Information

• Chemical Name: dimethyl 2-isocyanatoterephthalate
• CAS No.: 179114-94-4
• Molecular Formula: C11H9NO5
• Molecular Weight: 235.196
• Mol file: 179114-94-4.mol

Synonyms:dimethyl 2-isocyanatoterephthalate

Chemical Property of dimethyl 2-isocyanatoterephthalate

Chemical Property:

• PSA: 82.03000
• LogP: 1.22710

Purity/Quality:

98%min ^*data from raw suppliers

Dimethyl 2-isocyanatoterephthalate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of dimethyl 2-isocyanatoterephthalate

There total 3 articles about dimethyl 2-isocyanatoterephthalate 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%

bis(trichloromethyl) carbonate (32315-10-9) + dimethyl aminoterephthalate (5372-81-6) → dimethyl 2-isocyanatoterephthalate (179114-94-4)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.joc.9b03307

Reference yield: 84.0%

phosgene (75-44-5) + C13H19O4NSi → dimethyl 2-isocyanatoterephthalate (179114-94-4)

Guidance literature:

In toluene; at 0 ℃;

DOI:10.1134/S1070363206070115

Reference yield:

dimethyl aminoterephthalate (5372-81-6) → dimethyl 2-isocyanatoterephthalate (179114-94-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / sulfuric acid / 0.5 h / Heating

2: 84 percent / toluene / 0 °C

With sulfuric acid; In toluene;

DOI:10.1134/S1070363206070115

upstream raw materials:

bis(trichloromethyl) carbonate

dimethyl aminoterephthalate

phosgene

Downstream raw materials:

2-(3-propyl-ureido)-terephthalic acid dimethyl ester

2-(3-cyclohexyl-ureido)-terephthalic acid dimethyl ester

2-(3-methyl-ureido)-terephthalic acid dimethyl ester

3-cyclohexyl-2,4-dioxoquinazoline-7-carboxylic acid