ChemicalBook--->CAS DataBase List--->46004-37-9

46004-37-9

46004-37-9 Structure

46004-37-9 Structure
IdentificationMore
[Name]

Methyl 4-amino-2-chlorobenzoate
[CAS]

46004-37-9
[Synonyms]

2-chioro-4-aminobenzoic acid methyl ester
4-AMINO-2-CHLORO-BENZOIC ACID METHYL ESTER
AKOS BB-3102
METHYL 4-AMINO-2-CHLOROBENZOATE
2-chloro-4-amino benzoic acid methyl ester
Methyl 2-Chloro-4-Aminobenzoate
[Molecular Formula]

C8H8ClNO2
[MDL Number]

MFCD03840484
[Molecular Weight]

185.61
[MOL File]

46004-37-9.mol
Chemical PropertiesBack Directory
[Melting point ]

112-114°C
[Boiling point ]

334.2±22.0 °C(Predicted)
[density ]

1.311±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

soluble in Chloroform
[form ]

powder to crystal
[pka]

1.41±0.10(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C8H8ClNO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,10H2,1H3
[InChIKey]

DSHBGNPOIBSIOQ-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=C(N)C=C1Cl
[CAS DataBase Reference]

46004-37-9(CAS DataBase Reference)
Safety DataBack Directory
[HS Code ]

2916399090
Hazard InformationBack Directory
[Chemical Properties]

off white powder
[Uses]

Methyl 4-Amino-2-chlorobenzoate is used as a reagent to synthesize selective LXR agonists that increase HDL levels and reverse cholesterol transport in mice.
[References]

[1] Patent: WO2010/65760, 2010, A1. Location in patent: Page/Page column 150
[2] Journal of Medicinal Chemistry, 2010, vol. 53, # 4, p. 1546 - 1562
[3] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 17, p. 4377 - 4381
[4] Acad. romine Stud. Cerc. Chim., 1956, vol. 4, p. 175,177
[5] Bioorganic and Medicinal Chemistry, 2003, vol. 11, # 13, p. 2991 - 3013
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 4-amino-2-chlorobenzoate(46004-37-9)1HNMR
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