2-METHOXYPHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 2-METHOXYPHENYL ISOTHIOCYANATE
• CAS No.: 3288-04-8
• Molecular Formula: C8H7NOS
• Molecular Weight: 165.216
• Hs Code.: 29309090
• Mol file: 3288-04-8.mol

Synonyms:Isothiocyanicacid, o-methoxyphenyl ester (6CI,7CI,8CI);1-Isothiocyanato-2-methoxybenzene;2-Methoxyphenyl isothiocyanate;o-Anisyl isothiocyanate;o-Methoxyphenylisothiocyanate;

Chemical Property of 2-METHOXYPHENYL ISOTHIOCYANATE

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.0154mmHg at 25°C
• Refractive Index: 1.6433-1.6453
• Boiling Point: 265 °C at 760 mmHg
• Flash Point: 122.5 °C
• PSA: 53.68000
• Density: 1.08 g/cm³
• LogP: 2.42950
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.

Purity/Quality:

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

O-MethoxyphenylIsothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,C
• Hazard Codes: T,C
• Statements: 36/37/38-23/24/25-36/37-34
• Safety Statements: 45-38-36/37/39-28A-26-28-27

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-METHOXYPHENYL ISOTHIOCYANATE

There total 18 articles about 2-METHOXYPHENYL 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: 98.0%

2-methoxybenzohydroximoyl chloride (74467-01-9) → 1-isothiocyanato-2-methoxybenzene (3288-04-8)

Guidance literature:

With triethylamine; thiourea; In tetrahydrofuran; Ambient temperature;

DOI:10.1016/S0040-4039(00)61411-9

Reference yield: 95.0%

(2-methoxy-phenyl)-dithiocarbamic acid ; compound with triethylamine (53662-51-4) → 1-isothiocyanato-2-methoxybenzene (3288-04-8)

Guidance literature:

With p-toluenesulfonyl chloride; In tetrahydrofuran; at 0 - 22 ℃; for 1h;

DOI:10.1021/jo070246n

Reference yield: 91.0%

carbon disulfide (75-15-0,12122-00-8) + 2-methoxy-phenylamine (90-04-0) → 1-isothiocyanato-2-methoxybenzene (3288-04-8)

Guidance literature:

With potassium hydroxide; at 20 ℃; for 0.666667h; Milling; Green chemistry;

DOI:10.1039/c3ra43252a

upstream raw materials:

1,3-bis-(2-methoxy-phenyl)-thiourea

(2-methoxy-phenyl)-dithiocarbamic acid methyl ester

thiophosgene

2-methoxy-phenylamine

Downstream raw materials:

1,3-bis-(2-methoxy-phenyl)-thiourea

N-(o-methoxyphenyl)-N'-phenylthiourea

5-[3-(2-Methoxy-phenyl)-thioureido]-2-p-tolylsulfanyl-benzoic acid

2-(4-Chloro-phenylsulfanyl)-5-[3-(2-methoxy-phenyl)-thioureido]-benzoic acid

Refernces

• 1、 Li, Hang,Liu, Xinyun,Yin, Xiaogang. "NaOH-promoted one-pot aryl isothiocyanate synthesis under mild benchtop conditions". supporting information. p. 839 - 844. Retrieved 2021/05/27.
• 2、 -. "HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS". Paragraph 0779; 0780; 0781. . Retrieved 2018/06/12.