2-Methoxyethyl isothiocyanate

Base Information

• Chemical Name: 2-Methoxyethyl isothiocyanate
• CAS No.: 38663-85-3
• Molecular Formula: C4H7NOS
• Molecular Weight: 117.172
• Hs Code.: 29309090
• European Community (EC) Number: 254-070-4
• DSSTox Substance ID: DTXSID80191965
• Nikkaji Number: J319.823E
• Mol file: 38663-85-3.mol

Synonyms:2-Methoxyethyl isothiocyanate;38663-85-3;1-Isothiocyanato-2-methoxyethane;2-methoxyethylisothiocyanate;Ethane, 1-isothiocyanato-2-methoxy-;1-isothiocyanato-2-methoxy-ethane;1-(Isothiocyanato)-2-methoxyethane;EINECS 254-070-4;4-OXOPENTYLACETATE;SCHEMBL678193;2-methoxy ethyl isothiocyanate;DTXSID80191965;1-Isothiocyanato-2-methoxyethane #;2-Methoxyethyl isothiocyanate, 95%;BBL011963;GEO-01678;MFCD00041126;STK397536;1-isothiocyanato-2-(methyloxy)ethane;AKOS000101193;VS-03134;FT-0612841;FT-0612845;EN300-01242;J-802091

Chemical Property of 2-Methoxyethyl isothiocyanate

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 1.54mmHg at 25°C
• Melting Point: 1.080°C
• Refractive Index: 1.511-1.513
• Boiling Point: 175.4 °C at 760 mmHg
• Flash Point: 59.9 °C
• PSA: 53.68000
• Density: 1.01 g/cm³
• LogP: 0.73560
• Storage Temp.: Keep Cold
• Sensitive.: Moisture Sensitive
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 117.02483502
• Heavy Atom Count: 7
• Complexity: 77.8

Purity/Quality:

98%min ^*data from raw suppliers

2-Methoxyethyl isothiocyanate 99% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCN=C=S

Technology Process of 2-Methoxyethyl isothiocyanate

There total 4 articles about 2-Methoxyethyl 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:

→ 2-methoxyethyl isothiocyanate (38663-85-3)

Guidance literature:

With chloroformic acid ethyl ester;

DOI:10.1021/ja01124a531 DOI:10.1021/ja01535a043

Reference yield:

→ 2-methoxyethyl isothiocyanate (38663-85-3)

Guidance literature:

With chloroformic acid ethyl ester;

DOI:10.1021/ja01124a531 DOI:10.1021/ja01535a043

Reference yield:

N1,N3-(2-methoxyethyl)-N1-nitrosothiourea (84050-93-1) → methoxyethene (107-25-5,9003-09-2) + 2-methoxyethyl isothiocyanate (38663-85-3)

Guidance literature:

With potassium phosphate buffer; at 37 ℃; for 12h;

DOI:10.1021/jo00170a006

upstream raw materials:

N₁,N₃-(2-methoxyethyl)-N₁-nitrosothiourea

Downstream raw materials:

1-(2-Methoxy-ethyl)-3-[4-(4-nitro-benzenesulfonyl)-phenyl]-thiourea

(2Z)-2-{[1-(2-chlorophenyl)ethyl]imino}-N-(2-methoxyethyl)-1,3-oxazolidine-3-carbothioamide

1-(2-methoxyethyl)thiourea

Refernces