Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate

Base Information

Chemical Name:Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate
CAS No.:76075-15-5
Molecular Formula:C12H12 N2 O2 S
Molecular Weight:248.305
Hs Code.:2933290090
European Community (EC) Number:278-369-4
NSC Number:91544
DSSTox Substance ID:DTXSID80226968
Nikkaji Number:J319.170B
ChEMBL ID:CHEMBL1733249
Mol file:76075-15-5.mol

Synonyms:76075-15-5;methyl 3-benzyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate;Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate;MLS002695083;methyl 3-benzyl-2-sulfanylidene-1H-imidazole-4-carboxylate;EINECS 278-369-4;NSC91544;CHEMBL1733249;DTXSID80226968;HMS3079M09;Methyl3-benzyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate;NSC 91544;NSC-91544;AKOS005229113;methyl 3-benzyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4-carboxylate;SMR001560996;CS-0455586;FT-0765608;F15635;A865555;Methyl 1-benzyl-2-mercapto-1H-imidazole-5-carboxylate;2,3-Dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylic acid methyl ester;2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylicacid methyl ester

Suppliers and Price of Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate

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

Crysdot
Methyl3-benzyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate 95+%
1g
$ 620.00

Chemenu
Methyl3-benzyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate 95%
1g
$ 580.00

American Custom Chemicals Corporation
METHYL-3-BENZYL-2-THIOXO-2,3-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLATE 95.00%
5MG
$ 505.67

Alichem
Methyl3-benzyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate
1g
$ 515.00

Total 16 raw suppliers

Chemical Property of Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate

Chemical Property:

Vapor Pressure:9.55E-06mmHg at 25°C
Melting Point:174-175℃
Boiling Point:372.5°C at 760 mmHg
Flash Point:179.1°C
PSA：79.11000
Density:1.33g/cm³
LogP:2.38060
Storage Temp.:2-8°C
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:248.06194880
Heavy Atom Count:17
Complexity:348

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-benzyl-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CNC(=S)N1CC2=CC=CC=C2

Technology Process of Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate

There total 10 articles about Methyl 2,3-dihydro-3-(phenylmethyl)-2-thioxo-1H-imidazole-4-carboxylate 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: 83.0%

: 333-20-0
potassium thioacyanate

: N-benzyl,N-formyl,C-formylglycine methyl ester sodium salt

: 76075-15-5
methyl 1-benzyl-2-mercapto-5-imidazolecarboxylate

Guidance literature:: With hydrogenchloride; In methanol; at 20 ℃; for 20h;
DOI:10.1002/jlcr.507

Reference yield: 72.0%

: 540-72-7
sodium thiocyanide

: N-benzyl,N-formyl,C-formylglycine methyl ester sodium salt

: 76075-15-5
methyl 1-benzyl-2-mercaptoimidazole-5-carboxylate

Guidance literature:: With hydrogenchloride; In ethanol; water; at 40 ℃; for 5h;

Reference yield:

: 6436-90-4
ethyl 2-(benzylamino)acetate

: 76075-15-5
methyl 1-benzyl-2-mercaptoimidazole-5-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 58 percent / xylene / 2 h / Heating

2: tetrahydrofuran / 20 h / Ambient temperature

3: 72 percent / 12N HCl / aq. ethanol; H₂O / 5 h / 40 °C

With hydrogenchloride; In tetrahydrofuran; ethanol; water; xylene;