2-ETHOXYCARBONYLPHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 2-ETHOXYCARBONYLPHENYL ISOTHIOCYANATE
• CAS No.: 99960-09-5
• Molecular Formula: C10H9NO2S
• Molecular Weight: 207.253
• Hs Code.: 29309090
• Mol file: 99960-09-5.mol

Synonyms:Ethyl2-isothiocyanatobenzoate;

Chemical Property of 2-ETHOXYCARBONYLPHENYL ISOTHIOCYANATE

Chemical Property:

• Vapor Pressure: 0.00014mmHg at 25°C
• Refractive Index: n20/D 1.614(lit.)
• Boiling Point: 333 °C at 760 mmHg
• Flash Point: 155.2 °C
• PSA: 70.75000
• Density: 1.14 g/cm³
• LogP: 2.59760
• Sensitive.: Moisture Sensitive

Purity/Quality:

98%min ^*data from raw suppliers

2-EthoxycarbonylphenylIsothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-ETHOXYCARBONYLPHENYL ISOTHIOCYANATE

There total 3 articles about 2-ETHOXYCARBONYLPHENYL 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: 96.0%

1-bromo-2-isothiocyanatobenzene (13037-60-0) + chloroformic acid ethyl ester (541-41-3) → ethyl 2-isoithiocyanatobenzoate (99960-09-5)

Guidance literature:

1-bromo-2-isothiocyanatobenzene; With n-butyllithium; In tetrahydrofuran; hexane; at 25 ℃;

chloroformic acid ethyl ester; In tetrahydrofuran; hexane; at 25 ℃;

DOI:10.1002/anie.201410062

Reference yield: 84.0%

Langlois reagent (2926-29-6) + 2-ethoxycarbonylaniline (87-25-2) → ethyl 2-isoithiocyanatobenzoate (99960-09-5)

Guidance literature:

With copper(l) iodide; phosphonic acid diethyl ester; In toluene; at 110 ℃; for 16h; Schlenk technique; Green chemistry;

DOI:10.1039/c7cc02373a

Reference yield:

thiophosgene (463-71-8) + 2-ethoxycarbonylaniline (87-25-2) → ethyl 2-isoithiocyanatobenzoate (99960-09-5)

Guidance literature:

With chloroform; water;

upstream raw materials:

thiophosgene

2-ethoxycarbonylaniline

1-bromo-2-isothiocyanatobenzene

chloroformic acid ethyl ester

Downstream raw materials:

ethyl 2-(thiopropanoylamino)benzoate

2-imidazol-1-yl-benzoic acid hydrazide

N-(o-Carbethoxyphenyl)-methantricarbonsaeure-diethylester-thioamid

2-(2-thioxo-2,3-dihydro-imidazol-1-yl)-benzoic acid ethyl ester

Refernces

• 1、 Kim, Heejin,Lee, Hyune-Jea,Kim, Dong-Pyo. "Integrated one-flow synthesis of heterocyclic thioquinazolinones through serial microreactions with two organolithium intermediates". supporting information. p. 1877 - 1880. Retrieved 2015/02/19.