2-(3,4-Dimethoxyphenyl)ethanethioamide

Base Information

• Chemical Name: 2-(3,4-Dimethoxyphenyl)ethanethioamide
• CAS No.: 145736-65-8
• Molecular Formula: C10H13NO2S
• Molecular Weight: 211.285
• Hs Code.: 29309090
• European Community (EC) Number: 674-622-1
• DSSTox Substance ID: DTXSID90370522
• Wikidata: Q82157674
• Mol file: 145736-65-8.mol

Synonyms:145736-65-8;2-(3,4-dimethoxyphenyl)ethanethioamide;2-(3,4-dimethoxy)thioacetamide;3,4-dimethoxyphenylthioacetamide;Benzeneethanethioamide, 3,4-dimethoxy-;3,4-dimethoxyphenyl-thioacetamide;2-(3,4-Dimethoxy)-thioacetamide;2-(3,4-dimethoxyphenyl)-thioacetamide;DTXSID90370522;VFA73665;MFCD04973333;AKOS000199052;AS-44313;CS-0216153;FT-0643384;EN300-34582;A808405;J-008146;Z235363001

Chemical Property of 2-(3,4-Dimethoxyphenyl)ethanethioamide

Chemical Property:

• Appearance/Colour: Yellow powder
• Vapor Pressure: 5.17E-05mmHg at 25°C
• Melting Point: 135-138 °C
• Refractive Index: 1.585
• Boiling Point: 348 °C at 760 mmHg
• PKA: 12.94±0.29(Predicted)
• Flash Point: 164.3 °C
• PSA: 76.57000
• Density: 1.18 g/cm³
• LogP: 2.23270
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 211.06669983
• Heavy Atom Count: 14
• Complexity: 199

Purity/Quality:

98%min ^*data from raw suppliers

3,4-Dimethoxyphenyl-thioacetamide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CC(=S)N)OC

Technology Process of 2-(3,4-Dimethoxyphenyl)ethanethioamide

There total 1 articles about 2-(3,4-Dimethoxyphenyl)ethanethioamide 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:

3,4-dimethoxyphenylacetonitrile (93-17-4) → 3,4-Dimethoxyphenylthioacetamid (145736-65-8)

Guidance literature:

With hydrogenchloride; thioacetamide; In N,N-dimethyl-formamide; at 100 ℃; for 2h;

DOI:10.1021/jm00002a017

Reference yield: 82.0%

3,4-Dimethoxyphenylthioacetamid (145736-65-8) → 3,4-dimethoxyphenylacetonitrile (93-17-4)

Guidance literature:

With 1-oxa-2-azaspiro[2.5]octane; In toluene; at 20 - 25 ℃; for 4h;

Reference yield:

3,4-Dimethoxyphenylthioacetamid (145736-65-8) → 6-{2-[(3,4-Dimethoxy-phenyl)-hydroxy-methyl]-thiazol-4-yl}-3,4-dihydro-1H-quinolin-2-one

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol / 2 h / Heating

2: 14.4 percent / CrO₃ / acetic acid / 3 h / 70 °C

3: 52.5 percent / NaBH₄ / methanol; CHCl₃ / 1 h / Ambient temperature

With chromium(VI) oxide; sodium tetrahydroborate; In methanol; ethanol; chloroform; acetic acid;

DOI:10.1021/jm00002a017

upstream raw materials:

3,4-dimethoxyphenylacetonitrile

Downstream raw materials:

3,4-dimethoxyphenylacetonitrile

6-[2-(3,4-Dimethoxy-benzyl)-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(3,4-Dimethoxy-benzoyl)-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one

Refernces