CARBANILIC ACID, DITHIO-p-ETHOXY-, METHYL ESTER

Base Information

• Chemical Name: CARBANILIC ACID, DITHIO-p-ETHOXY-, METHYL ESTER
• CAS No.: 13037-23-5
• Molecular Formula: C10H13 N O S2
• Molecular Weight: 227.351
• DSSTox Substance ID: DTXSID50156480
• Nikkaji Number: J33.952K

Synonyms:Methyl dithio-p-ethoxycarbanilate;Dithio-p-ethoxycarbanilic acid methyl ester;BRN 2721799;CARBANILIC ACID, DITHIO-p-ETHOXY-, METHYL ESTER;13037-23-5;S-Methyl-N-(4-aethoxy-phenyl)-dithiocarbamat [German];S-Methyl-N-(4-aethoxy-phenyl)-dithiocarbamat;4-13-00-01171 (Beilstein Handbook Reference);C10H13NOS2;SCHEMBL5881946;DTXSID50156480;LMRCFYUILLMSDJ-UHFFFAOYSA-N;methyl 4-ethoxyphenyldithiocarbamate;LS-51202;p-Ethoxyphenyldithiocarbamic acid methyl ester;Carbanilic acid, p-ethoxydithio-, methyl ester

Chemical Property of CARBANILIC ACID, DITHIO-p-ETHOXY-, METHYL ESTER

Chemical Property:

• Vapor Pressure: 0.000127mmHg at 25°C
• Boiling Point: 334.6°Cat760mmHg
• Flash Point: 156.2°C
• Density: 1.229g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 227.04385639
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)NC(=S)SC

Technology Process of CARBANILIC ACID, DITHIO-p-ETHOXY-, METHYL ESTER

There total 1 articles about CARBANILIC ACID, DITHIO-p-ETHOXY-, 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:

→ (4-ethoxy-phenyl)-dithiocarbamic acid methyl ester (13037-23-5)

Guidance literature:

p-Phenetidin, CS2, MeI;

Reference yield: 69.0%

(4-ethoxy-phenyl)-dithiocarbamic acid methyl ester (13037-23-5) + 5-amino-4-chloro-2-methyl-3(2H)-pyradizone (17254-80-7) → 2-(4-Ethoxy-phenylamino)-6-methyl-6H-thiazolo[4,5-d]pyridazin-7-one (136353-37-2)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 80 ℃; for 12h;

Reference yield: 67.0%

(4-ethoxy-phenyl)-dithiocarbamic acid methyl ester (13037-23-5) + 5-(N-benzylamino)-4-chloro-2-methyl-3(2H)-pyridazinone (148750-50-9) → 3-Benzyl-2-[(Z)-4-ethoxy-phenylimino]-6-methyl-2,3-dihydro-6H-thiazolo[4,5-d]pyridazin-7-one (136353-33-8)

Guidance literature:

With sodium hydride; In dimethyl sulfoxide; at 80 ℃; for 48h;

Downstream raw materials:

2-[(E)-4-Ethoxy-phenylimino]-3,5-dimethyl-3,5-dihydro-2H-thiazolo[4,5-d]pyridazin-4-one

3-Benzyl-2-[(E)-4-ethoxy-phenylimino]-5-methyl-3,5-dihydro-2H-thiazolo[4,5-d]pyridazin-4-one

3-Benzyl-2-[(Z)-4-ethoxy-phenylimino]-6-methyl-2,3-dihydro-6H-thiazolo[4,5-d]pyridazin-7-one

3-Benzyl-2-[(E)-4-ethoxy-phenylimino]-5-phenyl-3,5-dihydro-2H-thiazolo[4,5-d]pyridazin-4-one

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