Methyl 2-amino-4,5-diethoxybenzoate

Base Information

• Chemical Name: Methyl 2-amino-4,5-diethoxybenzoate
• CAS No.: 20197-71-1
• Molecular Formula: C12H17NO4
• Molecular Weight: 239.271
• Hs Code.: 2922509090
• European Community (EC) Number: 622-780-7
• DSSTox Substance ID: DTXSID00393227
• Mol file: 20197-71-1.mol

Synonyms:methyl 2-amino-4,5-diethoxybenzoate;20197-71-1;METHYL2-AMINO-4,5-DIETHOXYBENZOATE;2-Amino-4,5-diethoxy-benzoic acid methyl ester;SCHEMBL6384036;DTXSID00393227;WYHBJUPMCJWBDD-UHFFFAOYSA-N;MFCD00089595;AKOS005916600;FT-0767278;Benzoicacid,2-amino-4,5-diethoxy-,methyl ester;EN300-12855380

Chemical Property of Methyl 2-amino-4,5-diethoxybenzoate

Chemical Property:

• Boiling Point: 369 °C at 760 mmHg
• PKA: 2.75±0.10(Predicted)
• Flash Point: 161.9 °C
• PSA: 70.78000
• Density: 1.136 g/cm³
• LogP: 2.43400
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 239.11575802
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

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

METHYL 2-AMINO-4,5-DIETHOXYBENZOATE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=C(C=C(C(=C1)C(=O)OC)N)OCC

Technology Process of Methyl 2-amino-4,5-diethoxybenzoate

There total 1 articles about Methyl 2-amino-4,5-diethoxybenzoate 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:

→ 4,5-diethoxy-2-aminobenzoic acid methyl ester (20197-71-1)

Guidance literature:

3,4-Diaethoxy-6-nitrobenzoesaeuremethylester, SnCl2 (HCl,N2);

DOI:10.1021/jm00307a028

Reference yield: 76.0%

4,5-diethoxy-2-aminobenzoic acid methyl ester (20197-71-1) → 2-amino-4,5-diethoxybenzoic acid (20197-72-2)

Guidance literature:

With sodium hydroxide; for 1h; Heating;

DOI:10.1021/jm050607w

Reference yield:

4,5-diethoxy-2-aminobenzoic acid methyl ester (20197-71-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → methyl 2-(dimethylaminomethyleneamino)-4,5-diethoxybenzoate (214476-69-4)

Guidance literature:

4,5-diethoxy-2-aminobenzoic acid methyl ester; N,N-dimethyl-formamide; With trichlorophosphate; at 0 - 55 ℃;

With sodium hydroxide; In water; at 0 ℃;

Downstream raw materials:

2-amino-4,5-diethoxybenzoic acid

4-Chloro-6,7-diethoxyquinazoline

6,7-diethoxy-3H-quinazolin-4-one

methyl 2-(dimethylaminomethyleneamino)-4,5-diethoxybenzoate

Refernces