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Safety Information

06975

Sigma-Aldrich

tert-Butyl 4-aminobenzoate

≥98.0% (NT)

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About This Item

Empirical Formula (Hill Notation):
C11H15NO2
CAS Number:
18144-47-3
Molecular Weight:
193.24
Beilstein:
2803178
MDL number:
MFCD00665790
UNSPSC Code:
12352209
PubChem Substance ID:
329748316
NACRES:
NA.22

Assay

≥98.0% (NT)

reaction suitability

reaction type: solution phase peptide synthesis

color

white to almost white

mp

108-110 °C

application(s)

peptide synthesis

SMILES string

CC(C)(C)OC(=O)c1ccc(N)cc1

InChI

1S/C11H15NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3

InChI key

KYORUZMJUKHKFS-UHFFFAOYSA-N

Related Categories

Other Notes

Building block for the synthesis of antifolates, important as tumor cell inhibitors

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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G.M.F. Visset et al.
Journal of Medicinal Chemistry, 35, 659-659 (1992)
L F Hennequin et al.
Journal of medicinal chemistry, 39(3), 695-704 (1996-02-02)
Modification of the potent thymidylate synthase (TS) inhibitor 1-[[N-[4-[N-[(3,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]-N- prop-2-ynylamino]benzoyl]amino]methyl]-3-nitrobenzene (4a) has led to the synthesis of quinazolinone antifolates bearing functionalized alkyl substituents at C2. A general synthetic route was developed which involved coupling the appropriate 1-[[N-[4-(alkylamino)benzoyl)amino]methyl]-3-nitrobenzene 20-22 with a

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