Benzyl 2-(methanethioylamino)-3-methoxybenzoate

Base Information

Chemical Name:Benzyl 2-(methanethioylamino)-3-methoxybenzoate
CAS No.:90155-34-3
Molecular Formula:C16H15NO3S
Molecular Weight:301.366
Hs Code.:
DSSTox Substance ID:DTXSID90522569
Wikidata:Q82387945

Synonyms:90155-34-3;Benzyl 2-(methanethioylamino)-3-methoxybenzoate;benzoic acid,3-methoxy-2-[(thioxomethyl)amino]-,phenylmethyl ester;DTXSID90522569

Suppliers and Price of Benzyl 2-(methanethioylamino)-3-methoxybenzoate

Supply Marketing:

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

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Chemical Property of Benzyl 2-(methanethioylamino)-3-methoxybenzoate

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:301.07726451
Heavy Atom Count:21
Complexity:344

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC(=C1NC=S)C(=O)OCC2=CC=CC=C2

Technology Process of Benzyl 2-(methanethioylamino)-3-methoxybenzoate

There total 2 articles about Benzyl 2-(methanethioylamino)-3-methoxybenzoate 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: 89.0%

: 90136-82-6
N¹-(2-Benzyloxycarbonyl-6-methoxyphenyl)-N²-dimethylformamidin

: 90155-34-3
3-Methoxy-N-thioformylanthranilsaeurebenzylester

Guidance literature:: With hydrogen sulfide; In N,N-dimethyl-formamide; at -5 ℃; for 1.5h;
DOI:10.1007/BF00798412

Reference yield:

: 3-Methoxyanthranilsaeurebenzylester

: 90155-34-3
3-Methoxy-N-thioformylanthranilsaeurebenzylester

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) POCl₃; 2.) 2 N NaOH / 1.) benzene, 16 h, RT; 2.) water

2: 89 percent / H₂S / dimethylformamide / 1.5 h / -5 °C

With sodium hydroxide; hydrogen sulfide; trichlorophosphate; In N,N-dimethyl-formamide;
DOI:10.1007/BF00798412

Reference yield:

: 90155-34-3
3-Methoxy-N-thioformylanthranilsaeurebenzylester

: 90136-90-6
1-(2-Carboxy-6-methoxyphenyl)-4-methylthio-2-azetidinon

Guidance literature:: Multi-step reaction with 4 steps

1: anhydrous K₂CO₃ / acetone / 20 h / 20 °C

2: 65 percent / NEt₃ / benzene / 5 h / Heating

3: 89 percent / Bu3SnH; α,α'-azoisobutyronitrile / benzene / 2 h / Heating

4: 91 percent / H₂ / 10 percent Pd/C / methanol

With azobisisobutyronitrile; hydrogen; tri-n-butyl-tin hydride; potassium carbonate; triethylamine; palladium on activated charcoal; In methanol; acetone; benzene;
DOI:10.1007/BF00798412