4-(Pyrimidin-2-ylsulfanylmethyl)benzoic acid

Base Information

Chemical Name:4-(Pyrimidin-2-ylsulfanylmethyl)benzoic acid
CAS No.:194479-18-0
Molecular Formula:C₁₂H₁₀N₂O₂S
Molecular Weight:246.29
Hs Code.:
DSSTox Substance ID:DTXSID60361280
Nikkaji Number:J2.316.281D
Wikidata:Q82143551
Mol file:194479-18-0.mol

Synonyms:4-[(pyrimidin-2-ylsulfanyl)methyl]benzoic acid;4-(pyrimidin-2-ylsulfanylmethyl)benzoic acid;CBMicro_036182;194479-18-0;SCHEMBL1750521;DTXSID60361280;STK387947;AKOS000220837;4-(2-Pyrimidinylthiomethyl)benzoic acid;BIM-0036424.P001

Suppliers and Price of 4-(Pyrimidin-2-ylsulfanylmethyl)benzoic acid

Supply Marketing:

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

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Total 1 raw suppliers

Chemical Property of 4-(Pyrimidin-2-ylsulfanylmethyl)benzoic acid

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:246.04629874
Heavy Atom Count:17
Complexity:249

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CN=C(N=C1)SCC2=CC=C(C=C2)C(=O)O

Technology Process of 4-(Pyrimidin-2-ylsulfanylmethyl)benzoic acid

There total 1 articles about 4-(Pyrimidin-2-ylsulfanylmethyl)benzoic acid 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%

: 1642-81-5
p-(chloromethyl)benzoic acid

: 58289-71-7
2-mercaptopyrimidine sodium salt

: 194479-18-0
4-<(2'-thiopyrimidine)methyl>benzoic acid

Guidance literature:: In ethanol; Heating;

Reference yield: 70.0%

: silver nitrate

: 194479-18-0
4-<(2'-thiopyrimidine)methyl>benzoic acid

: 887761-03-7
[Ag(4-(2-pyrimidylthiomethyl)benzoate)]

Guidance literature:: With Et₃N; In methanol; chloroform; acetonitrile; soln. of acid in MeOH/CHCl3 (1/1) was transferred to tube in presence ofEt3N; soln. of Ag salt in MeCN was poured without mixing 2 solns; kept at room temp. for 5 d; elem. anal.;
DOI:10.1016/j.ica.2005.12.077

Reference yield: 65.0%

: cadmium(II) nitrate tetrhydrate

: 194479-18-0
4-<(2'-thiopyrimidine)methyl>benzoic acid

: [Cd(4-(2-pyrimidylthiomethyl)benzoate)2(H₂O)]

Guidance literature:: In water; High Pressure; mixt. of Cd salt and acid in H2O was sealed in reactor; heated at 110°C for 72 h; cooled at rate 10°C/h; elem. anal.;
DOI:10.1016/j.ica.2005.12.077