3,4,5-TRIMETHOXYPHENYL ISOCYANATE

Base Information

• Chemical Name: 3,4,5-TRIMETHOXYPHENYL ISOCYANATE
• CAS No.: 1016-19-9
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• Hs Code.: 2929109000
• Mol file: 1016-19-9.mol

Synonyms:Isocyanicacid, 3,4,5-trimethoxyphenyl ester (7CI,8CI);3,4,5-Trimethoxyphenylisocyanate;5-Isocyanato-1,2,3-trimethoxybenzene;

Chemical Property of 3,4,5-TRIMETHOXYPHENYL ISOCYANATE

Chemical Property:

• Vapor Pressure: 0.000353mmHg at 25°C
• Melting Point: 42-45 °C (lit.)
• Refractive Index: 1.494
• Boiling Point: 318.8 °C at 760 mmHg
• Flash Point: 148.5 °C
• PSA: 57.12000
• Density: 1.13 g/cm³
• LogP: 1.67970
• Sensitive.: Moisture Sensitive

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,4,5-Trimethoxyphenyl isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,4,5-TRIMETHOXYPHENYL ISOCYANATE

There total 12 articles about 3,4,5-TRIMETHOXYPHENYL ISOCYANATE 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: 95.2%

3,4,5-trimethoxybenzoyl azide (42543-45-3) → 3,4,5-trimethoxyphenylisocyanate (1016-19-9)

Guidance literature:

1.) CH₃Ph/ether, reflux, 1.5 h; 2.) CH₃Ph, 1.5 h;

DOI:10.1016/S0040-4020(01)81763-4

Reference yield: 95.0%

3,4,5-Trimethoxybenzoyl chloride (4521-61-3) → 3,4,5-trimethoxyphenylisocyanate (1016-19-9)

Guidance literature:

With sodium azide; In water; acetone; for 1h;

DOI:10.1002/hlca.200390053

Reference yield: 83.16%

→ 3,4,5-trimethoxyphenylisocyanate (1016-19-9)

Guidance literature:

In 1,2-dichloro-ethane; at 0 - 20 ℃; Reflux;

upstream raw materials:

3,4,5-trimethoxybenzoyl azide

3,4,5-Trimethoxybenzoyl chloride

Eudesmic acid

phosgene

Downstream raw materials:

4-(4-Chlorophenyl)-1-[3-(3,4,5-trimethoxyphenylcarbamoyloxy)propyl]piperazine

4-(2-Chlorophenyl)-1-[3-(3,4,5-trimethoxyphenylcarbamoyloxy)propyl]piperazine, hydrochloride

4-(4-Fluorophenyl)-1-[3-(3,4,5-trimethoxyphenylcarbamoyloxy)propyl]piperazine, hydrochloride

4-(1-Naphthyl)-1-[3-(3,4,5-trimethoxyphenylcarbamoyloxy)propyl]piperazine, hydrochloride

Refernces

• 1、 Yokota,Takizawa,Ohkura,Fukai,Tomiyama. "Isoquinuclidine-based expectorants. Synthesis and biological activities of N-alkoxybenzylisoquinuclidines". . p. 377 - 384. Retrieved 1997.
• 2、 Do?an, ?engül Dilem. "Copper-catalyzed N[sbnd]H/S[sbnd]H functionalization: A strategy for the synthesis of benzothiadiazine derivatives". . p. 2217 - 2224. Retrieved 2017/03/24.