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209880

Sigma-Aldrich

5-Phenyl-o-anisidine

≥98%

Synonym(s):

2-Methoxy-5-phenylaniline

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About This Item

Linear Formula:
C6H5C6H3(OCH3)NH2
CAS Number:
39811-17-1
Molecular Weight:
199.25
EC Number:
254-639-7
MDL number:
MFCD00007790
UNSPSC Code:
12352100
PubChem Substance ID:
24852599
NACRES:
NA.22

Assay

≥98%

form

powder

mp

82-83 °C (lit.)

functional group

phenyl

SMILES string

COc1ccc(cc1N)-c2ccccc2

InChI

1S/C13H13NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-9H,14H2,1H3

InChI key

DTYBRSLINXBXMP-UHFFFAOYSA-N

General description

5-Phenyl-o-anisidine is a promising monomer for polyanilines studies. X-ray Diffraction and DFT studies of 5-phenyl-o-anisidine (2-methoxy-5-phenylaniline) have been reported.

Application

5-Phenyl-o-anisidine (2-Methoxy-5-phenylaniline) was used in the synthesis of 2,4-diamino-5-methyl-6-substituted-pyrido[2,3-d]pyrimidines.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBH2751
01710TF
S32607
06329LG

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X-ray Diffraction and DFT Studies of 2-Methoxy-5-phenylaniline.
Marques AT, et al.
Journal of Chemical Crystallography, 38(4), 295-299 (2008)
A Gangjee et al.
Journal of medicinal chemistry, 40(4), 479-485 (1997-02-14)
Nine novel 2,4-diamino-5-methyl-6-substituted-pyrido[2,3-d]pyrimidines, 2-10, were synthesized as potential inhibitors of Pneumocystis carinii dihydrofolate reductase (pcDHFR) and Toxoplasma gondii dihydrofolate reductase (tgDHFR). Compounds 2-5 were designed as conformationally restricted analogues of trimetrexate (TMQ), in which rotation around tau 3 was constrained

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