(2-Methoxyphenyl)carbamodithioic acid--ammonia (1/1)

Base Information

• Chemical Name: (2-Methoxyphenyl)carbamodithioic acid--ammonia (1/1)
• CAS No.: 49791-47-1
• Molecular Formula: C8H9NOS2
• Molecular Weight: 216.328
• DSSTox Substance ID: DTXSID20503184
• NSC Number: 34226

Synonyms:49791-47-1;(2-Methoxyphenyl)carbamodithioic acid--ammonia (1/1);DTXSID20503184;NSC34226;NSC-34226

Chemical Property of (2-Methoxyphenyl)carbamodithioic acid--ammonia (1/1)

Chemical Property:

• Vapor Pressure: 0.00207mmHg at 25°C
• Boiling Point: 290.5°Cat760mmHg
• Flash Point: 129.5°C
• Density: 1.311g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 216.03910536
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1NC(=S)S.N

Technology Process of (2-Methoxyphenyl)carbamodithioic acid--ammonia (1/1)

There total 1 articles about (2-Methoxyphenyl)carbamodithioic acid--ammonia (1/1) 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-methoxy-phenylamine (90-04-0) → ammonium salt of N-o-anisylamino dithiocarbamic acid (49791-47-1)

Guidance literature:

With ammonia;

Reference yield: 84.0%

3-benzoylacrylic acid (583-06-2) + ammonium salt of N-o-anisylamino dithiocarbamic acid (49791-47-1) → 3-(2-methoxyphenyl)-5-(2-oxo-2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one (1075256-86-8)

Guidance literature:

In ethanol; at 20 ℃; for 0.5h;

DOI:10.1002/hlca.200890159

Reference yield: 79.0%

1-phenyl-5-Bromobarbituric acid (90767-12-7) + ammonium salt of N-o-anisylamino dithiocarbamic acid (49791-47-1) → 2,4,6-trioxo-1-phenyl-hexahydropyrimidin-5-yl 2-methoxyphenylcarbamodithioate

Guidance literature:

With Amberlyst-15; In water; at 20 ℃; for 4.5h; Green chemistry;

DOI:10.2174/1570178612666150108002716

upstream raw materials:

carbon disulfide

2-methoxy-phenylamine

Downstream raw materials:

(2-Methoxy-phenyl)-dithiocarbamic acid 5-(4-chloro-phenoxymethyl)-[1,3,4]oxadiazol-2-ylmethyl ester

(2-Methoxy-phenyl)-dithiocarbamic acid 5-phenyl-[1,3,4]oxadiazol-2-ylmethyl ester

2-(4-Chloro-phenoxymethyl)-5-(2-methoxy-phenyl)-[1,3,4]oxadiazolo[3,2-d][1,3,4]thiadiazine-6-thione

[2-(4-Chloro-phenoxymethyl)-[1,3,4]oxadiazolo[3,2-b][1,5,2]dithiazin-(6E)-ylidene]-(2-methoxy-phenyl)-amine

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