2,5-DIMETHOXYPHENETHYL ISOTHIOCYANATE

Base Information

• Chemical Name: 2,5-DIMETHOXYPHENETHYL ISOTHIOCYANATE
• CAS No.: 56771-74-5
• Molecular Formula: C₁₁H₁₃NO₂S
• Molecular Weight: 223.296
• Hs Code.: 2930909090
• Mol file: 56771-74-5.mol

Synonyms:2,5-Dimethoxyphenethyl isothiocyanate;

Chemical Property of 2,5-DIMETHOXYPHENETHYL ISOTHIOCYANATE

Chemical Property:

• Vapor Pressure: 5.54E-05mmHg at 25°C
• Refractive Index: 1.529
• Boiling Point: 357.7 °C at 760 mmHg
• Flash Point: 170.1 °C
• PSA: 62.91000
• Density: 1.08 g/cm³
• LogP: 2.34910

Purity/Quality:

98%Min ^*data from raw suppliers

2,5-Dimethoxyphenethylisothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,5-DIMETHOXYPHENETHYL ISOTHIOCYANATE

There total 3 articles about 2,5-DIMETHOXYPHENETHYL ISOTHIOCYANATE 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:

carbon disulfide (75-15-0,12122-00-8) + 2,5-dimethoxyphenethylamine (3600-86-0) → 2-(2-isothiocyanatoethyl)-1,4-dimethoxybenzene (56771-74-5)

Guidance literature:

carbon disulfide; 2,5-dimethoxyphenethylamine; With triethylamine; In tetrahydrofuran; at 0 ℃; for 3h;

With chloroformic acid ethyl ester; In tetrahydrofuran; at 0 ℃; for 2h;

DOI:10.2174/1570180815666180801120440

Reference yield:

2,5-dimethoxybenzaldehyde (93-02-7) → 2-(2-isothiocyanatoethyl)-1,4-dimethoxybenzene (56771-74-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide / water; methanol / 0.25 h / -4 - -2 °C

2.1: lithium aluminium tetrahydride / tetrahydrofuran / Reflux

3.1: triethylamine / tetrahydrofuran / 3 h / 0 °C

3.2: 2 h / 0 °C

With lithium aluminium tetrahydride; triethylamine; sodium hydroxide; In tetrahydrofuran; methanol; water;

DOI:10.2174/1570180815666180801120440

Reference yield:

(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene (40276-11-7) → 2-(2-isothiocyanatoethyl)-1,4-dimethoxybenzene (56771-74-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium aluminium tetrahydride / tetrahydrofuran / Reflux

2.1: triethylamine / tetrahydrofuran / 3 h / 0 °C

2.2: 2 h / 0 °C

With lithium aluminium tetrahydride; triethylamine; In tetrahydrofuran;

DOI:10.2174/1570180815666180801120440

upstream raw materials:

carbon disulfide

2,5-dimethoxyphenethylamine

2,5-dimethoxybenzaldehyde

(E)-1,4-dimethoxy-2-(2-nitrovinyl) benzene

Refernces