Ethyl 3-formyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Base Information

Chemical Name:Ethyl 3-formyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS No.:123044-10-0
Molecular Formula:C15H16 N2 O3 S
Molecular Weight:304.3641
Hs Code.:
DSSTox Substance ID:DTXSID40379565
ChEMBL ID:CHEMBL1307178
Mol file:123044-10-0.mol

Synonyms:123044-10-0;ethyl 3-formyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate;ethyl 3-formyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate;ethyl 3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate;Oprea1_157333;CBDivE_015683;MLS001018049;CHEMBL1307178;SCHEMBL13561190;DTXSID40379565;XVXOSLFEAXZVPB-UHFFFAOYSA-N;HMS1580P07;HMS2655B11;AKOS003617726;AKOS016339533;SMR000354298;FT-0755237;AB00079154-01;SR-01000203318;11R-0223;SR-01000203318-1;Z56758848;ethyl 3-formyl-6-methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Suppliers and Price of Ethyl 3-formyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-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

American Custom Chemicals Corporation
ETHYL 3-FORMYL-6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE 95.00%
10MG
$ 468.12

American Custom Chemicals Corporation
ETHYL 3-FORMYL-6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE 95.00%
5MG
$ 448.66

American Custom Chemicals Corporation
ETHYL 3-FORMYL-6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE 95.00%
1MG
$ 441.71

Total 2 raw suppliers

Chemical Property of Ethyl 3-formyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Chemical Property:

Vapor Pressure:2.03E-07mmHg at 25°C
Melting Point:164-166 °C(Solv: ethanol (64-17-5))
Boiling Point:424.6°C at 760 mmHg
PKA:10.31±0.70(Predicted)
Flash Point:210.6°C
PSA：97.77000
Density:1.31g/cm³
LogP:2.33200
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:304.08816355
Heavy Atom Count:21
Complexity:470

Purity/Quality:

95% ^*data from raw suppliers

ETHYL 3-FORMYL-6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2)C=O)C

Technology Process of Ethyl 3-formyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

There total 3 articles about Ethyl 3-formyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-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: 76.0%

: 123043-88-9,33458-26-3
5-ethoxycarbonyl-4-phenyl-6-methyl-3,4-dihydropyrimidine-2(1H)-thione

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 123044-10-0
3-formyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester

Guidance literature:: With trichlorophosphate; at 0 - 20 ℃;
DOI:10.1080/10426500701752903

Reference yield:

: 141-97-9
ethyl acetoacetate

: 100-52-7
benzaldehyde

: 123044-10-0
3-formyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogenchloride; aluminum (III) chloride / methanol; water / 4 h / Reflux

2: trichlorophosphate / 0.67 h / 70 °C / Cooling with ice

With hydrogenchloride; aluminum (III) chloride; trichlorophosphate; In methanol; water;

Reference yield:

: 123044-09-7
2-(2-ethoxycarbonylethyl)thio-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester

: 123044-10-0
3-formyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 100 °C

2: 1.) phosphorus oxychloride, 2.) H₂O / 1.) room temperature, 15 min

With water; trichlorophosphate;