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393673

Sigma-Aldrich

1-Methyl-2-aminoterephthalate

98%

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About This Item

Linear Formula:
4-(HO2C)C6H3(NH2)CO2CH3
CAS Number:
60728-41-8
Molecular Weight:
195.17
MDL number:
MFCD00189374
UNSPSC Code:
12352100
PubChem Substance ID:
24864533
NACRES:
NA.22
Assay:
98%

Assay

98%

mp

217-220 °C (lit.)

solubility

concentrated acid: soluble (HCl)(lit.)

functional group

carboxylic acid
ester

SMILES string

COC(=O)c1ccc(cc1N)C(O)=O

InChI

1S/C9H9NO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,10H2,1H3,(H,11,12)

InChI key

QKOKLMFCKLEFDV-UHFFFAOYSA-N

General description

1-Methyl-2-aminoterephthalate (3-Amino-4-carbomethoxybenzoic acid, 3-Amino-4-methoxycarbonylbenzoic acid) is the 1-methyl ester of 2-aminoterephthalic acid.

Application

1-Methyl-2-aminoterephthalate is suitable reagent used in the synthesis of 1-methyl-2-iodoterephthalate.[1]
1-Methyl-2-aminoterephthalate may be used in the following syntheses:
  • triarylphosphine[2]
  • methyl 4-(hydroxymethyl-2-iodobenzoate[3]
  • 1-methyl-2-diphenylphosphinoterepthalate

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
STBG1592V
STBD7757V
S60950V
S46804V
S60950

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Drug resistance to alkylator chemotherapy has been primarily attributed to the DNA repair protein alkylguanine-DNA alkyltransferase (AGT); thus, personalizing chemotherapy could be facilitated if tumor AGT content could be quantified prior to administering chemotherapy. We have been investigating the use

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