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550809

Sigma-Aldrich

Phenylguanidine carbonate salt

≥99%

Synonym(s):

1-Phenylguanidine carbonate, N-Phenylguanidine carbonate

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About This Item

Linear Formula:
C6H5NHC(=NH)NH2·(H2CO3)x
CAS Number:
Molecular Weight:
135.17
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

≥99%

mp

149-153 °C (lit.)

SMILES string

OC(O)=O.NC(=N)Nc1ccccc1

InChI

1S/C7H9N3.CH2O3/c8-7(9)10-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,8,9,10);(H2,2,3,4)

InChI key

XDSYAIICRRZSJX-UHFFFAOYSA-N

Related Categories

Application

Phenylguanidine carbonate salt may be used in the preparation of the following bioactive compounds:
  • (E)-methyl 2-(2-((6-cyclopropyl-2-(phenylamino)pyrimidin-4-yloxy)methyl)phenyl)-3-methoxyacrylate
  • cyprodinil
  • 5,6-dihydropyrido[2,3-d]pyrimidine
  • ethyl 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate
  • 2-(phenylamino)-4-(trifluoromethyl)-1,6-dihydropyrimidine derivatives
Reactant involved in synthesis of polo-like kinase 1 inhibitors

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis and SAR of new pyrazolo [4, 3-h] quinazoline-3-carboxamide derivatives as potent and selective MPS1 kinase inhibitors.
Caldarelli M, et al.
Bioorganic & Medicinal Chemistry Letters, 21(15), 4507-4511 (2011)
Synthesis of bactericide Cyprodinil.
Qu J, et al.
Zhejiang Gongye Daxue Xuebao (Journal of Zhejiang University of Technology), 1, 7-7 (2012)
An unusual Michael addition of 3, 3-dimethoxypropanenitrile to 2-aryl acrylates: a convenient route to 4-unsubstituted 5, 6-dihydropyrido [2, 3-d] pyrimidines.
Berzosa X, et al.
The Journal of Organic Chemistry, 75(2), 487-490 (2009)
Synthesis of (E)-Methyl 2-(2-((6-cyclopropyl-2-(phenylamino) pyrimidin-4-yloxy) methyl) phenyl)-3-methoxyacrylate and Its Fungicidal Activity.
Li HC, et al.
Agrochemicals, 4, 6-6 (2009)
Solvent-Free Synthesis of 2-(Phenylamino)-4-(trifluoromethyl)-1, 6-dihydropyrimidine Derivatives Catalyzed by Sulfamic Acid.
Shen S, et al.
Journal of Heterocyclic Chemistry, 49(5), 1033-1037 (2012)

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