Methyl 2-amino-4-isopropoxy-5-methoxybenzoate

Base Information

• Chemical Name: Methyl 2-amino-4-isopropoxy-5-methoxybenzoate
• CAS No.: 50413-53-1
• Molecular Formula: C12H17NO4
• Molecular Weight: 239.271
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID30475883
• Mol file: 50413-53-1.mol

Synonyms:methyl 2-amino-4-isopropoxy-5-methoxybenzoate;50413-53-1;METHYL 2-AMINO-5-METHOXY-4-PROPAN-2-YLOXYBENZOATE;SCHEMBL2857865;DTXSID30475883;BSYREQYBSSODKV-UHFFFAOYSA-N;AKOS024234096;AC-25051;FT-0734907;methyl2-amino-4-isopropoxy-5-methoxybenzoate;F52257

Chemical Property of Methyl 2-amino-4-isopropoxy-5-methoxybenzoate

Chemical Property:

• Boiling Point: 1.133
• PKA: 2.95±0.10(Predicted)
• Flash Point: 156 ?C
• PSA: 70.78000
• Density: 1.133
• LogP: 2.43240
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 239.11575802
• Heavy Atom Count: 17
• Complexity: 257

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 2-amino-4-isopropoxy-5-methoxybenzoate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=C(C=C(C(=C1)N)C(=O)OC)OC
• Uses: Methyl 2-amino-4-isopropoxy-5-methoxybenzoate is a reactant in the preparation and structure-activity relationship of anilinocyanoquinolines & anilinoquinazolines as inhibitors of Src tyrosine kinase.

Technology Process of Methyl 2-amino-4-isopropoxy-5-methoxybenzoate

There total 3 articles about Methyl 2-amino-4-isopropoxy-5-methoxybenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-isopropoxy-5-methoxy-2-nitro-benzoic acid methyl ester (948553-02-4) → methyl 2-amino-4-isopropoxy-5-methoxybenzoate (50413-53-1)

Guidance literature:

With iron; ammonium chloride;

DOI:10.1016/S0960-894X(00)00493-5

Reference yield:

4-hydroxy-3-methoxybenzoic acid methyl ester (3943-74-6) → methyl 2-amino-4-isopropoxy-5-methoxybenzoate (50413-53-1)

Guidance literature:

Multi-step reaction with 3 steps

1: HNO₃

2: Fe; NH₄Cl

With nitric acid; iron; ammonium chloride; 1: Alkylation / 2: Nitration / 3: Reduction;

DOI:10.1016/S0960-894X(00)00493-5

Reference yield:

methyl 4-isopropoxy-3-methoxybenzoate (3535-27-1) → methyl 2-amino-4-isopropoxy-5-methoxybenzoate (50413-53-1)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃

2: Fe; NH₄Cl

With nitric acid; iron; ammonium chloride; 1: Nitration / 2: Reduction;

DOI:10.1016/S0960-894X(00)00493-5

upstream raw materials:

4-isopropoxy-5-methoxy-2-nitro-benzoic acid methyl ester

4-hydroxy-3-methoxybenzoic acid methyl ester

methyl 4-isopropoxy-3-methoxybenzoate

Downstream raw materials:

7-isopropyloxy-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile

4-chloro-7-hydroxy-6-methoxyquinolin-3-carbonitrile

7-isopropyloxy-6-methoxy-4-chloroquinoline-3-carbonitrile

7-(3-chloro-propoxy)-4-chloro-6-methoxy-quinoline-3-carbonitrile