4-Methoxy-3-nitrobenzenecarbothioamide

Base Information

Chemical Name:4-Methoxy-3-nitrobenzenecarbothioamide
CAS No.:175277-84-6
Molecular Formula:C8H8 N2 O3 S
Molecular Weight:212.229
Hs Code.:
DSSTox Substance ID:DTXSID00384155
Wikidata:Q82176115
Mol file:175277-84-6.mol

Synonyms:4-methoxy-3-nitrobenzenecarbothioamide;175277-84-6;4-methoxy-3-nitrobenzene-1-carbothioamide;4-Methoxy-3-nitrobenzothioamide;Benzenecarbothioamide, 4-methoxy-3-nitro-;Benzenecarbothioamide,4-methoxy-3-nitro-;Maybridge1_008866;Oprea1_738251;SCHEMBL14306163;HMS566K22;DTXSID00384155;CCG-53280;AKOS015908473;CS-0355732;FT-0618893;EN300-1856502;SR-01000642451-1

Suppliers and Price of 4-Methoxy-3-nitrobenzenecarbothioamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4-METHOXY-3-NITROBENZENE-1-CARBOTHIOAMIDE 95.00%
5G
$ 1418.92

Total 6 raw suppliers

Chemical Property of 4-Methoxy-3-nitrobenzenecarbothioamide

Chemical Property:

Vapor Pressure:4.98E-06mmHg at 25°C
Melting Point:197℃
Boiling Point:381.7°Cat760mmHg
Flash Point:184.7°C
PSA：113.16000
Density:1.397g/cm³
LogP:2.46110
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:212.02556330
Heavy Atom Count:14
Complexity:241

Purity/Quality:

98%min ^*data from raw suppliers

4-METHOXY-3-NITROBENZENE-1-CARBOTHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Hazard Codes: Xn:Harmful;
Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Safety Statements: S36/37:Wear suitable protective clothing and gloves.;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C(=S)N)[N+](=O)[O-]

Technology Process of 4-Methoxy-3-nitrobenzenecarbothioamide

There total 1 articles about 4-Methoxy-3-nitrobenzenecarbothioamide 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: 76.0%

: 10397-58-7
4-methoxy-3-nitro-benzoic acid amide

: 175277-84-6
4-methoxy-3-nitrobenzothioamide

Guidance literature:: 4-methoxy-3-nitro-benzoic acid amide; With Lawessons reagent; In tetrahydrofuran; 1,2-dimethoxyethane; at 50 ℃; for 2h;

With sodium hydrogencarbonate; In tetrahydrofuran; 1,2-dimethoxyethane; at 20 ℃; for 1h;

Reference yield: 68.0%

: 1415820-00-6
methyl 4-(2-chloroacetyl)-1H-pyrrole-2-carboxylate

: 175277-84-6
4-methoxy-3-nitrobenzothioamide

: 1415820-41-5
methyl 4-(2-(4-methoxy-3-nitrophenyl)thiazol-4-yl)-1H-pyrrole-2-carboxylate

Guidance literature:: With acetic acid; for 2h; Reflux;

Reference yield:

: 175277-84-6
4-methoxy-3-nitrobenzothioamide

: 1415819-65-6
C₂₅H₂₉N₅O₄S

Guidance literature:: Multi-step reaction with 6 steps

1: acetic acid / 2 h / Reflux

2: sodium hydroxide; water / 1,4-dioxane / 70 - 80 °C

3: triethylamine; di(succinimido) carbonate / 1,4-dioxane; acetonitrile / 20 °C

4: hydrogen / palladium on activated charcoal / tetrahydrofuran / Reflux

5: triethylamine / dichloromethane / 1 h / Cooling with ice

6: triethylamine / 1,4-dioxane / 1 h / Reflux

With di(succinimido) carbonate; water; hydrogen; acetic acid; triethylamine; sodium hydroxide; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; dichloromethane; acetonitrile;