3-ETHOXYPHENYLISOTHIOCYANATE

Base Information

• Chemical Name: 3-ETHOXYPHENYLISOTHIOCYANATE
• CAS No.: 3701-44-8
• Molecular Formula: C9H9NOS
• Molecular Weight: 179.243
• Hs Code.: 2930909090
• Mol file: 3701-44-8.mol

Synonyms:Isothiocyanicacid, m-ethoxyphenyl ester (7CI,8CI);3-Ethoxy-1-isothiocyanatobenzene;

Chemical Property of 3-ETHOXYPHENYLISOTHIOCYANATE

Chemical Property:

• Refractive Index: 1.5270 (estimate)
• Boiling Point: 294.629 °C at 760 mmHg
• Flash Point: 131.987 °C
• PSA: 53.68000
• Density: 1.068 g/cm³
• LogP: 2.81960
• Water Solubility.: 68.11mg/L(25 oC)

Purity/Quality:

99% ^*data from raw suppliers

1-ethoxy-3-isothiocyanatobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-ETHOXYPHENYLISOTHIOCYANATE

There total 3 articles about 3-ETHOXYPHENYLISOTHIOCYANATE 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: 99.0%

carbon disulfide (75-15-0,12122-00-8) + m-phenetidine (621-33-0) → 1-ethoxy-3-isothiocyanatobenzene (3701-44-8)

Guidance literature:

carbon disulfide; m-phenetidine; With triethylamine; In tetrahydrofuran; at 0 - 20 ℃;

With dmap; di-tert-butyl dicarbonate; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

DOI:10.1002/cmdc.201500418

Reference yield:

1,1'-Thiocarbonyldi-2(1H)-pyridone (102368-13-8) + m-phenetidine (621-33-0) → 1-ethoxy-3-isothiocyanatobenzene (3701-44-8)

Guidance literature:

In dichloromethane;

Reference yield:

→ 1-ethoxy-3-isothiocyanatobenzene (3701-44-8)

Guidance literature:

/BRN= 775987/;

upstream raw materials:

1,1'-Thiocarbonyldi-2(1H)-pyridone

m-phenetidine

carbon disulfide

Downstream raw materials:

N,N'-bis-(3-ethoxy-phenyl)-thiourea

N-(3-ethoxyphenyl)-1,4-dihydro-6-ethoxy-7-(3-hydroxypropoxy)-1-methylindeno[1,2-c]pyrazole-3-amine

C₂₉H₃₇N₃O₅

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