Cas no 884497-46-5 (Methyl 3-amino-5-fluorobenzoate)

Methyl 3-amino-5-fluorobenzoate structure

884497-46-5 structure

Product Name:Methyl 3-amino-5-fluorobenzoate

CAS No:884497-46-5

MF:C₈H₈FNO₂

MW:169.153025627136

MDL:MFCD05863683

CID:1027732

PubChem ID:3807862

Update Time:2024-10-26

Methyl 3-amino-5-fluorobenzoate Chemical and Physical Properties

Names and Identifiers

- Methyl 3-amino-5-fluorobenzoate
- C8H8FNO2
- ETHYL 5-AMINO-3-FLUOROBENZOATE
- Methyl3-amino-5-fluorobenzoate
- Methyl 5-Amino-3-fluorobenzoate
- YKEJVXMOMKWEPV-UHFFFAOYSA-N
- CL9032
- AM62252
- SY024503
- 5-amino-3-fluorobenzoic acid methyl ester
- 3-Amino-5-fluorobenzoic acid methyl ester
- 3-amino-5-fluoro-benzoic acid methyl ester
- AB0030624
- X2833
- ST24031022
- MDL： MFCD05863683
- Inchi： 1S/C8H8FNO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,10H2,1H3
- InChI Key： YKEJVXMOMKWEPV-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(N)C=C(F)C=1)OC

Computed Properties

Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 12
Rotatable Bond Count: 2
Complexity: 174
XLogP3: 1.6
Topological Polar Surface Area: 52.3

Experimental Properties

Melting Point: 107-110°C
Water Partition Coefficient: Slightly soluble in water.

Methyl 3-amino-5-fluorobenzoate Security Information

Signal Word：Warning
Hazard Statement： H315; H319; H335
Warning Statement： P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
Storage Condition：Store at room temperature

Methyl 3-amino-5-fluorobenzoate Pricemore >>

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Methyl 3-amino-5-fluorobenzoate Production Method

Production Method 1

883987-72-2

884497-46-5

Reaction Conditions

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ; rt

Reference

From off-to on-target: New BRAF-inhibitor-template-derived compounds selectively targeting mitogen activated protein kinase kinase 4 (MKK4)

Kloevekorn, Philip; et al, European Journal of Medicinal Chemistry, 2021, 210,

Production Method 2

14027-75-9

884497-46-5

Reaction Conditions

1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ; rt
1.2 5 min, rt
2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ; rt

Reference

From off-to on-target: New BRAF-inhibitor-template-derived compounds selectively targeting mitogen activated protein kinase kinase 4 (MKK4)

Kloevekorn, Philip; et al, European Journal of Medicinal Chemistry, 2021, 210,

Methyl 3-amino-5-fluorobenzoate Raw materials

Methyl 3-amino-5-fluorobenzoate Preparation Products

Methyl 3-amino-5-fluorobenzoate (884497-46-5)

Methyl 3-amino-5-fluorobenzoate Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:884497-46-5)Methyl 3-amino-5-fluorobenzoate

Order Number:A854713

Stock Status:in Stock

Quantity:25g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 07:52

Price ($):290.0

Email:[email protected]

Product Official Link

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