Carbamodithioic acid, (4-methoxyphenyl)-, methyl ester

Base Information

• Chemical Name: Carbamodithioic acid, (4-methoxyphenyl)-, methyl ester
• CAS No.: 34956-06-4
• Molecular Formula: C9H11NOS2
• Molecular Weight: 213.324
• DSSTox Substance ID: DTXSID00368051
• Nikkaji Number: J291.556A
• Wikidata: Q82154333
• Mol file: 34956-06-4.mol

Synonyms:34956-06-4;Carbamodithioic acid, (4-methoxyphenyl)-, methyl ester;SBB042898;methyl (4-methoxyphenyl)carbamodithioate;SCHEMBL8531717;DTXSID00368051;STL301486;AKOS000269341;AKOS016035023;(4-Methoxyphenyl)dithiocarbamic acid methyl ester;N-(4-methoxyphenyl)(methylsulfanyl)carbothioamide;Z56757835

Chemical Property of Carbamodithioic acid, (4-methoxyphenyl)-, methyl ester

Chemical Property:

• PSA: 78.65000
• LogP: 2.82800
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 213.02820632
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NC(=S)SC

Technology Process of Carbamodithioic acid, (4-methoxyphenyl)-, methyl ester

There total 9 articles about Carbamodithioic acid, (4-methoxyphenyl)-, methyl ester 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: 54.0%

carbon disulfide (75-15-0,12122-00-8) + 4-methoxy-aniline (104-94-9) → methyl N-(4-methoxyphenyl)dithiocarbamate (34956-06-4)

Guidance literature:

carbon disulfide; 4-methoxy-aniline; at 20 ℃;

methyl halide; In acetonitrile; at 20 ℃;

DOI:10.1002/ejoc.201403348

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 4-methoxy-aniline (104-94-9) + dimethyl sulfate (77-78-1) → methyl N-(4-methoxyphenyl)dithiocarbamate (34956-06-4)

Guidance literature:

carbon disulfide; 4-methoxy-aniline; With sodium hydroxide; In dimethyl sulfoxide; for 0.5h;

dimethyl sulfate; In dimethyl sulfoxide; for 2h; cooling;

DOI:10.1211/jpp.58.9.0012

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 4-amino-phenol (123-30-8) + methyl iodide (74-88-4) → methyl N-(4-methoxyphenyl)dithiocarbamate (34956-06-4)

Guidance literature:

carbon disulfide; With potassium hydroxide; In dimethyl sulfoxide; at 0 ℃; for 0.166667h;

4-amino-phenol; In dimethyl sulfoxide; at 60 ℃; for 6.5h;

methyl iodide; In dimethyl sulfoxide; at 20 ℃; for 10h;

DOI:10.1016/j.ejmech.2016.04.042

upstream raw materials:

carbon disulfide

4-methoxy-aniline

methyl iodide

dimethyl sulfate

Downstream raw materials:

(3H-Imidazo[4,5-b]pyridin-2-yl)-(4-methoxy-phenyl)-amine

(4-Methoxy-phenyl)-(9H-purin-8-yl)-amine

2,2'-bis(4-methoxyphenylamino)-5,5'(6,6')-bibenzimidazole

3-(4-Methoxy-phenyl)-2-thioxo-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

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